SCHEMBL7405331

SCHEMBL7405331

CNCCOc1ccc(C=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.58
HTR1D P28221 1/20 0.58
ALDH1A1 P00352 5/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP2A6 P11509 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
ALDH1A3 P47895 1/20 0.44
LTA4H P09960 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1470314 0.95 ALDH1A1 (0.60) HTR1BHTR1DALDH1A1LMNAMAPT
Pyridine SCHEMBL28502026 0.88 HTR1B (0.54) HTR1BHTR1DALDH1A1LMNAMAPT
SCHEMBL7451259 0.82 LMNA (0.58) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL851166 0.82 ALDH1A1 (0.66) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL28403326 0.81 HTR1B (0.58) HTR1BHTR1DALDH1A1LMNAL3MBTL1
SCHEMBL11671997 0.81 LMNA (0.61) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL8204708 0.80 ALDH1A1 (0.75) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL8551794 0.80 ALDH1A1 (0.69) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL5090074 0.80 ALDH1A1 (0.75) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL23140741 0.80 MTNR1A (0.69) ALDH1A1LMNAMAPTHPGDSMN1; SMN2

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

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111328280-A Methods of making and using endoxifen 阿托萨治疗学公司 2020-06-23 CN claimed
CN-116832020-A Methods of making and using endoxifen 阿托萨治疗学公司 2023-10-03 CN disclosed
CN-111328280-A Methods of making and using endoxifen 阿托萨治疗学公司 2020-06-23 CN disclosed
CN-111212635-A Topical compositions 阿托莎医疗公司 2020-05-29 CN disclosed
CN-111212631-A Topical compositions and methods of treatment 阿托莎医疗公司 2020-05-29 CN disclosed
EP-3016947-A1 BENZOTHIOPHENE DERIVATIVES AS ESTROGEN RECEPTOR INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-05-11 EP disclosed
WO-2015000867-A1 BENZOTHIOPHENE DERIVATIVES AS ESTROGEN RECEPTOR INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-01-08 WO disclosed
CN-1471523-A Imidazole derivatives as Raf kinase inhibitors ʷ 2004-01-28 CN disclosed
EP-0912567-B1 CARBOLINE DERIVATIVES ICOS CORP (US) 2002-04-10 EP disclosed
US-6306870-B1 PHOSPHODIESTERASE ENZYME INHIBITORS, CARDIOVASCULAR DISORDERS AND SEXUAL DISORDERS ICOS CORPORATION 2001-10-23 US disclosed
CN-1067071-C Carboline derivatives ICOS CORP (US) 2001-06-13 CN disclosed
US-6117881-A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE ICOS CORPORATION (US) 2000-09-12 US disclosed
US-6043252-A A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP-SPECIFIC PDE); TREATING CARDIOVASCULAR DISORDERS AND ERECTILE DYSFUNCTION ICOS CORPORATION (US) 2000-03-28 US disclosed
CN-1218471-A Carboline derivatives ICOS CORP (US) 1999-06-02 CN disclosed
EP-0912567-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1999-05-06 EP disclosed
WO-1997043287-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1997-11-20 WO disclosed