SCHEMBL9577345

SCHEMBL9577345

COC(=O)C(=O)C(CC=C(C)C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.39
POLB P06746 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CASP1 P29466 1/20 0.38
CASP3 P42574 1/20 0.38
GALK1 P51570 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL9577409 0.84 CYP2C19 (0.46) CYP2C19KMT2APOLBCYP2D6CYP2C9
SCHEMBL10886990 0.80 CYP2C19 (0.49) CYP2C19KMT2APOLBCYP2D6CYP2C9
SCHEMBL22535019 0.79 KMT2A (0.47) KMT2ATSHRPOLBKDM4EMEN1
SCHEMBL10890638 0.76 CYP2C19 (0.45) CYP2C19KMT2ATSHRPOLBCYP2D6
SCHEMBL9577909 0.74 KMT2A (0.42) CYP2C19KMT2ATSHRCYP2D6KDM4E
SCHEMBL7636997 0.70 KMT2A (0.52) CYP2C19KMT2ATSHRPOLBCYP2D6
SCHEMBL586036 0.69 FNTA (0.58) CYP2C19KMT2ATSHRPOLBCYP2C9
SCHEMBL586037 0.69 FNTA (0.58) CYP2C19KMT2ATSHRPOLBCYP2C9
SCHEMBL3961002 0.69 FNTA (0.58) CYP2C19KMT2ATSHRPOLBCYP2C9
SCHEMBL10967855 0.68 KMT2A (0.50) KMT2ATSHRCYP2D6CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407588-B1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEM RES (JP) 1993-12-08 EP disclosed
US-5028738-A Process for producing 2-oxo-3-aromatic carboxylic acid derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-07-02 US disclosed
EP-0407588-A1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-16 EP disclosed