SCHEMBL9465440

SCHEMBL9465440

Cc1cc2cccc3c2c(c1C(=O)O)-c1ccccc1-3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.43
MYC P01106 1/20 0.42
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
PABPC1 P11940 2/20 0.38
TTR P02766 1/20 0.38
CES1 P23141 1/20 0.37
MAPT P10636 2/20 0.37
APAF1 O14727 1/20 0.37

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
SCHEMBL458086 0.76 MAPK1 (0.46) KLK7HSD17B10ALDH1A1KMT2AMEN1
SCHEMBL14424338 0.75 ALDH1A1 (0.60) HSD17B10ALDH1A1KMT2AMEN1CYP2C19
SCHEMBL15770056 0.72 ALDH1A1 (0.56) HSD17B10ALDH1A1KMT2AMEN1CYP2C19
SCHEMBL6999570 0.72 KEAP1 (0.45) KLK7HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL28660408 0.71 TTR (0.46) MYCHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL29114348 0.70 HSD17B10 (0.61) MYCHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL7181506 0.69 MEN1 (0.68) HSD17B10ALDH1A1KMT2AMEN1CYP2C19
SCHEMBL23499965 0.69 KDM4E (0.49) HSD17B10ALDH1A1KMT2AMEN1CYP2C19
SCHEMBL2267128 0.69 LDHA (0.51) MYCHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL1059869 0.69 ALDH1A1 (0.56) MYCHSD17B10ALDH1A1KMT2AMEN1

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
US-5241107-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1993-08-31 US disclosed