SCHEMBL9117203

SCHEMBL9117203

Cc1cccc(C(=O)O)c1N.Cc1cccc2cc[nH]c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.62
PDPK1 O15530 1/20 0.53
MYC P01106 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
G6PD P11413 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
BCHE P06276 2/20 0.40
REN P00797 1/20 0.40
GRM5 P41594 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
BACE1 P56817 1/20 0.38
BRPF1 P55201 1/20 0.37
POLB P06746 1/20 0.37
FABP4 P15090 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
Acetic Acid SCHEMBL9117969 0.81 KEAP1 (0.58) KEAP1PDPK1KDM4EHSD17B10BCHE
Benzene SCHEMBL28094805 0.81 KDM4E (0.61) MYCKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29367017 0.81 KDM4E (0.61) MYCKDM4EALDH1A1HPGDHSD17B10
SCHEMBL130355 0.81 KDM4E (0.61) MYCKDM4EALDH1A1HPGDHSD17B10
Ammonia Solution, Strong SCHEMBL5312431 0.79 KDM4E (0.59) MYCKDM4EALDH1A1HPGDHSD17B10
Ethane SCHEMBL28184947 0.79 KDM4E (0.59) MYCKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10797011 0.79 KDM4E (0.59) MYCKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL27578736 0.79 KDM4E (0.59) MYCKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9119040 0.78 G6PD (0.65) KEAP1PDPK1KDM4EALDH1A1HPGD
SCHEMBL336234 0.78 KEAP1 (1.00) KEAP1PDPK1KDM4EALDH1A1HPGD

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-1995034658-A1 MICROBIAL PRODUCTION OF INDOLE-3-ACETIC ACIDS AND SUBSTITUTED ANALOGS THEREOF VIA FERMENTATION GENENCOR INTERNATIONAL, INC. (US) 1995-12-21 WO disclosed