SCHEMBL8773424

SCHEMBL8773424

CC(=O)OCc1cccn1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 4/20 0.40
HSD11B1 P28845 2/20 0.39
IDH1 O75874 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL9036339 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL9036331 0.77 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL24186562 0.76 TGM2 (0.46) ALDH1A1RAB9ASMN1; SMN2LMNANPC1
SCHEMBL14828743 0.75 ALDH1A1 (0.53) ALDH1A1RAB9ASMN1; SMN2RECQLCYP1A2
SCHEMBL11848578 0.74 RAB9A (0.40) ALDH1A1RAB9ASMN1; SMN2RECQLCYP1A2
Acetic Acid SCHEMBL30330510 0.73 RAB9A (0.49) ALDH1A1RAB9ASMN1; SMN2RECQLCYP1A2
SCHEMBL11967756 0.73 HSD11B1 (0.57) ALDH1A1RAB9ASMN1; SMN2RECQLCYP1A2
SCHEMBL29225356 0.73 ALDH1A1 (0.44) ALDH1A1RAB9ASMN1; SMN2CYP1A2CYP2C19
Acetic Acid SCHEMBL11361633 0.72 RAB9A (0.47) ALDH1A1RAB9ASMN1; SMN2RECQLCYP1A2
SCHEMBL9977556 0.72 TRIM24 (0.44) ALDH1A1RAB9ASMN1; SMN2CYP2C19KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112661688-B Synthetic method of non-steroidal anti-inflammatory drug tolmetin 杭州迪克科技有限公司 2023-04-07 CN disclosed
EP-0488321-B1 Electroconductive polymer coated metal particles and method for preparing same MITSUBISHI RAYON CO (JP) 1997-10-29 EP disclosed
US-5215820-A Polymeric electrolyte as dopant coated on surfaces of metal particles; oxidation resistance; handling properties MITSUBISHI RAYON CO., LTD. (JP) 1993-06-01 US disclosed
EP-0488321-A1 Electroconductive polymer coated metal particles and method for preparing same MITSUBISHI RAYON CO., LTD. (JP) 1992-06-03 EP disclosed