SCHEMBL40338

SCHEMBL40338

C[C](C)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
TDP1 Q9NUW8 2/20 0.54
SLC6A2 P23975 2/20 0.54
SLC6A3 Q01959 2/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 2/20 0.52
LMNA P02545 3/20 0.48
HCAR2 Q8TDS4 1/20 0.48
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18427393 0.85 ALDH1A1 (0.68) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL42485 0.81 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL156493 0.81 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
E1501 SCHEMBL43745 0.81 ALDH1A1 (1.00) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
E1501 SCHEMBL901210 0.81 ALDH1A1 (1.00) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
E1501 SCHEMBL14031569 0.81 ALDH1A1 (1.00) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL7054415 0.81 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL7049526 0.81 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL21518223 0.81 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL9383761 0.81 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 4290 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991655-B1 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2024-04-10 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
CN-112823158-B Process for preparing 2- [ (3R) -3-methylmorpholin-4-yl ] -4- (1-methyl-1H-pyrazol-5-yl) -8- (1H-pyrazol-5-yl) -1, 7-naphthyridine 拜耳股份有限公司 2023-08-15 CN claimed
EP-3841101-B1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE BAYER AG (DE) 2023-05-03 EP claimed
EP-3649135-B1 SYNTHESIS OF HALICHONDRINS HARVARD COLLEGE (US) 2022-12-28 EP claimed
US-11241435-B2 Uses of salt-inducible kinase (SIK) inhibitors for treating osteoporosis THE GENERAL HOSPITAL CORPORATION (US) 2022-02-08 US claimed
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 EP claimed
US-20210253573-A1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE BAYER AKTIENGESELLSCHAFT (DE) 2021-08-19 US claimed
EP-3841101-A1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE Bayer Aktiengesellschaft (DE) 2021-06-30 EP claimed
CN-112823158-A Process for the preparation of 2- [ (3R) -3-methylmorpholin-4-yl ] -4- (1-methyl-1H-pyrazol-5-yl) -8- (1H-pyrazol-5-yl) -1, 7-naphthyridine 拜耳股份有限公司 2021-05-18 CN claimed
WO-2005087700-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D3 RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-22 WO claimed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 WO claimed
US-5716904-A FOR BROARD LEAF WEEDS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US claimed
EP-0764641-A1 NOVEL 4,5-DISUBSTITUTED PYRIMIDINE DERIVATIVE AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-26 EP claimed
EP-0201221-B1 6-(1-ACYL-1-HYDROXY METHYL) PENICILLANIC ACID DERIVATIVES PFIZER INC. (US) 1990-08-01 EP claimed
CN-1003712-B Process for preparing 6- (1-acyl-1-hydroxymethyl or acetoxymethyl) penicillanic acid derivatives 美国辉瑞有限公司 1989-03-29 CN claimed
US-4762921-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1988-08-09 US claimed
US-4675186-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1987-06-23 US claimed
EP-0201221-A1 6-(1-acyl-1-hydroxy methyl) penicillanic acid derivatives PFIZER INC. (US) 1986-11-12 EP claimed
CN-86102736-A The preparation method and the application thereof of 6-(1-acyl group-1-methylol) penicillanic acid derivative 1986-10-15 CN claimed