SCHEMBL7651963

SCHEMBL7651963

O=C(O)/C=C/c1ccccc1Cc1ccc2c(c1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 6/20 0.66
PTGDR Q13258 5/20 0.66
PTGER2 P43116 5/20 0.66
TBXA2R P21731 4/20 0.66
PTGFR P43088 3/20 0.66
PTGER4 P35408 3/20 0.66
PTGIR P43119 2/20 0.64
PTGER1 P34995 1/20 0.64
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
AR P10275 1/20 0.49
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL7651969 0.81 KDM4E (0.58) KMT2AMEN1CYP1A2ALDH1A1HSD17B10
SCHEMBL7144056 0.80 KMT2A (0.62) KMT2AMEN1CYP1A2ALDH1A1HSD17B10
SCHEMBL157606 0.80 PTGER3 (0.73) PTGER3PTGDRPTGER2TBXA2RPTGFR
SCHEMBL7922115 0.80 PTGER3 (1.00) PTGER3PTGDRPTGER2TBXA2RPTGFR
SCHEMBL7922112 0.80 PTGER3 (1.00) PTGER3PTGDRPTGER2TBXA2RPTGFR
SCHEMBL7922145 0.78 PTGER3 (1.00) PTGER3PTGDRPTGER2TBXA2RPTGFR
SCHEMBL7922149 0.78 PTGER3 (1.00) PTGER3PTGDRPTGER2TBXA2RPTGFR
SCHEMBL9391810 0.77 CYP1A2 (0.49) KMT2AMEN1CYP1A2CYP3A4MAPT
SCHEMBL21154355 0.74 CALM1 (0.54) KMT2AMEN1ALDH1A1CYP3A4RAB9A
SCHEMBL7391673 0.74 NPC1 (0.52) KMT2AMEN1CYP1A2ALDH1A1CYP3A4

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-6498187-B1 SUCH AS 2'-(6-CHLOROPIPERONYL)-3-(2,6-DICHLOROBENZYLOXY)-CINNAMIC ACID; ANTIBIOTICS SMITHKLINE BEECHAM CORPORATION 2002-12-24 US disclosed