SCHEMBL9147302

SCHEMBL9147302

COCc1cc2c(cc1CCC(=O)O)OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
CASP6 P55212 1/20 0.41
PTPN11 Q06124 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
FFAR1 O14842 1/20 0.39
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL9150813 0.85 CYP3A4 (0.56) POLBNPSR1CYP3A4ALDH1A1TSHR
SCHEMBL9145665 0.85 CYP3A4 (0.49) POLBNPSR1CYP3A4ALDH1A1TSHR
SCHEMBL9149286 0.85 ALDH1A1 (0.40) CYP3A4ALDH1A1TSHRKDM4EMAPT
SCHEMBL9148307 0.83 NPSR1 (0.48) POLBNPSR1CYP3A4ALDH1A1TSHR
SCHEMBL9148810 0.82 MEN1 (0.48) NPSR1CYP3A4ALDH1A1TSHRKDM4E
SCHEMBL8541154 0.81 HPGD (0.47) POLBNPSR1ALDH1A1KDM4EKMT2A
SCHEMBL30970296 0.79 NPSR1 (0.67) NPSR1CYP3A4ALDH1A1KDM4EMAPT
SCHEMBL9146721 0.79 NPSR1 (0.67) NPSR1CYP3A4ALDH1A1KDM4EMAPT
SCHEMBL9150409 0.79 NPSR1 (0.43) NPSR1CYP3A4ALDH1A1TSHRKDM4E
SCHEMBL9153667 0.76 TSHR (0.42) NPSR1ALDH1A1TSHRKDM4EMAPT

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
US-5475024-A Useful in treating liver disease EISAI CO., LTD. (JP) 1995-12-12 US disclosed
US-5292901-A Benzodioxole derivatives EISAI CO., LTD. (JP) 1994-03-08 US disclosed
EP-0281098-B1 BENZODIOXOLE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME, AND THE USE OF THE SAME FOR THE MANUFACTURE OF MEDICAMENTS Eisai Co., Ltd. (JP) 1992-11-25 EP disclosed
US-5110956-A Liver disorders EISAI CO., LTD. (JP) 1992-05-05 US disclosed
CN-88101155-A The preparation of benzo benzodioxole derivatives and application thereof 1988-09-28 CN disclosed
EP-0281098-A1 Benzodioxole derivatives, compositions comprising the same, and the use of the same for the manufacture of medicaments Eisai Co., Ltd. (JP) 1988-09-07 EP disclosed