SCHEMBL10697927

SCHEMBL10697927

CC(C)c1ccc2c(c1)c(Sc1ccccc1)c(CC(=O)O)n2CCc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 7/20 0.50
ALOX5 P09917 7/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
PTGES O14684 5/20 0.50
ALOX5AP P20292 5/20 0.50
CYP3A4 P08684 4/20 0.50
MAPT P10636 4/20 0.50
ALOX15 P16050 4/20 0.50
RECQL P46063 4/20 0.50
BLM P54132 4/20 0.50
HSD17B10 Q99714 4/20 0.50
POLB P06746 4/20 0.50
USP2 O75604 3/20 0.50
TP53 P04637 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 3/20 0.50
HPGD P15428 3/20 0.50
MAPK1 P28482 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50

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
SCHEMBL9458153 0.92 PTGES2 (0.59) PTGES2ALOX5MEN1KMT2APTGES
SCHEMBL9458248 0.84 PTGES2 (0.58) PTGES2ALOX5MEN1KMT2APTGES
SCHEMBL9458095 0.81 MAPT (0.55) PTGES2ALOX5MEN1KMT2APTGES
SCHEMBL9457655 0.81 PTGES2 (0.66) PTGES2ALOX5MEN1KMT2APTGES
SCHEMBL9457746 0.79 PTGES2 (0.80) PTGES2ALOX5MEN1KMT2APTGES
SCHEMBL9669226 0.78 MEN1 (0.58) PTGES2ALOX5MEN1KMT2APTGES
SCHEMBL23270775 0.78 ALOX5 (0.79) PTGES2ALOX5MEN1KMT2APTGES
SCHEMBL9457636 0.77 MAPT (0.61) PTGES2ALOX5MEN1KMT2APTGES
SCHEMBL9457577 0.76 MAPT (0.58) PTGES2ALOX5MEN1KMT2APTGES
SCHEMBL9457509 0.76 PTGES2 (0.79) PTGES2ALOX5MEN1KMT2APTGES

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
EP-0275667-A1 3-hetero-substituted-N-benzyl-indoles MERCK FROSST CANADA INC. (CA) 1988-07-27 EP claimed