SCHEMBL8899848

SCHEMBL8899848

CC1=C(CCON=CCCO)c2cc(F)ccc2C1=Cc1cc(C)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 12/20 0.38
▸ RXRA P19793 6/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ AKR1B10 O60218 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ C5 P01031 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ GLRA1 P23415 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL8900999 0.92 PPARG (0.37) PPARGRXRAKMT2ACYP1A2MAPT
SCHEMBL8901396 0.88 PPARG (0.40) PPARGRXRAKMT2ACYP1A2MAPT
SCHEMBL8901112 0.85 PPARG (0.44) PPARGRXRAKMT2ACYP1A2MAPT
SCHEMBL8899780 0.83 PPARG (0.43) PPARGRXRAKMT2ACYP1A2MAPT
SCHEMBL8891797 0.82 PPARG (0.45) PPARGRXRAKMT2ACYP1A2MAPT
SCHEMBL8901099 0.80 PPARG (0.41) PPARGRXRAKMT2ACYP1A2MAPT
SCHEMBL8901300 0.76 PPARG (0.44) PPARGRXRAKMT2ACYP1A2MAPT
SCHEMBL8899710 0.74 PPARG (0.43) PPARGRXRAKMT2ACYP1A2MAPT
SCHEMBL8900757 0.73 PPARG (0.47) PPARGRXRAKMT2ACYP1A2MAPT
SCHEMBL8649419 0.73 PPARG (0.67) PPARGRXRAKMT2ACYP1A2MAPT

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
Send feedback