SCHEMBL8892260

SCHEMBL8892260

COc1ccc2[nH]c(C)c(CCON=CC(O)CO)c2c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.33
POLB P06746 2/20 0.32
MAPT P10636 6/20 0.32
LMNA P02545 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
TACR1 P25103 2/20 0.32
HPGD P15428 3/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31

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
SCHEMBL8642692 0.86 ABCG2 (0.35) ABCG2POLBMAPTLMNAKDM4E
SCHEMBL5806535 0.81 POLB (0.41) POLBMAPTLMNAMTNR1AMTNR1B
SCHEMBL8889810 0.80 POLB (0.39) ABCG2POLBMAPTLMNAKDM4E
SCHEMBL8671204 0.80 POLB (0.34) ABCG2POLBMAPTLMNAKDM4E
SCHEMBL8649447 0.80 NPC1 (0.40) POLBMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL8676287 0.79 POLB (0.32) ABCG2POLBMAPTHPGDCNR1
SCHEMBL8673269 0.79 POLB (0.33) ABCG2POLBMAPTHPGDCNR1
SCHEMBL8646300 0.78 MAPT (0.36) POLBMAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL5805625 0.78 PTGS2 (0.38) POLBMAPTLMNAKDM4EATM
SCHEMBL8649266 0.78 SLC2A1 (0.36) POLBMAPTLMNAKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997041100-A1 IMINOXY DERIVATIVES OF INDOLE AND INDENE COMPOUNDS AS INHIBITORS OF PROSTAGLANDIN BIOSYNTHESIS ABBOTT LABORATORIES (US) 1997-11-06 WO disclosed