SCHEMBL27720428

SCHEMBL27720428

COc1cc(N)cc(OC)c1C(C)C(=O)C(C)c1c(OC)cc(N)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 4/20 0.37
MAPT P10636 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 2/20 0.35
HTR2A P28223 1/20 0.35
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL3917410 0.77 GAA (0.42) ALDH1A1KDM4EHTTL3MBTL1GAA
SCHEMBL21582151 0.76 ALDH1A1 (0.41) ALDH1A1HTTLMNAL3MBTL1TSHR
SCHEMBL27720429 0.73 ALDH1A1 (0.37) ALDH1A1KDM4EHTTL3MBTL1GAA
SCHEMBL27612695 0.73 CYP3A4 (0.53) KDM4EMAPTMAPK1CYP3A4POLB
SCHEMBL27816222 0.73 ALDH1A1 (0.47) ALDH1A1KDM4EHTTLMNAL3MBTL1
SCHEMBL28805723 0.70 L3MBTL1 (0.40) ALDH1A1LMNAL3MBTL1MAPTTSHR
SCHEMBL116728 0.69 CYP3A4 (0.53) ALDH1A1KDM4EHTTLMNAL3MBTL1
SCHEMBL491023 0.69 PTGS2 (0.49) LMNATSHRMAPK1CYP3A4POLB
SCHEMBL14384290 0.68 KDM4E (0.53) ALDH1A1KDM4EHTTLMNAL3MBTL1
SCHEMBL28171022 0.68 ALDH1A1 (0.56) ALDH1A1KDM4EHTTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110141570-A Medical compounds 西雅图遗传学公司 2019-08-20 CN disclosed
CN-110143950-A Medical compounds 西雅图遗传学公司 2019-08-20 CN disclosed
CN-106170288-B Pharmaceutical compounds 西雅图遗传学公司 2019-07-19 CN disclosed
CN-106170288-A Pharmaceutical compounds 卡斯卡迪安疗法公司 2016-11-30 CN disclosed
CN-101296907-B Diaminopyrimidines as P2X3 and P2X2/3 modulators HOFFMANN LA ROCHE 2013-03-27 CN disclosed
CN-101296907-A Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC (CH) 2008-10-29 CN disclosed