SCHEMBL9577472

SCHEMBL9577472

CC=CCC(C(=O)C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
EPHX1 P07099 1/20 0.39
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
UBE2N P61088 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
KDM4A O75164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.35
SRC P12931 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL9577467 1.00 CYP2C19 (0.46) CYP2C19EPHX1LMNAHSD17B10UBE2N
SCHEMBL667322 0.86 CYP2C19 (0.62) CYP2C19EPHX1LMNAHSD17B10UBE2N
SCHEMBL10886683 0.84 CYP2C19 (0.47) CYP2C19EPHX1LMNAHSD17B10UBE2N
SCHEMBL10886677 0.84 CYP2C19 (0.47) CYP2C19EPHX1LMNAHSD17B10UBE2N
SCHEMBL10886147 0.81 CYP2C19 (0.45) CYP2C19EPHX1LMNAHSD17B10UBE2N
SCHEMBL10886154 0.81 CYP2C19 (0.45) CYP2C19EPHX1LMNAHSD17B10UBE2N
SCHEMBL11856879 0.80 CYP2C19 (0.44) CYP2C19EPHX1LMNAHSD17B10UBE2N
SCHEMBL11856866 0.80 CYP2C19 (0.44) CYP2C19EPHX1LMNAHSD17B10UBE2N
SCHEMBL9577409 0.79 CYP2C19 (0.46) CYP2C19EPHX1LMNAHSD17B10CES2
SCHEMBL9577255 0.79 CYP2C19 (0.73) CYP2C19EPHX1LMNAHSD17B10CES2

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