SCHEMBL7931394

SCHEMBL7931394

CCC(=Cc1cc(Cl)ccc1Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
TBXA2R P21731 1/20 0.38
PTGFR P43088 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
PTGIR P43119 1/20 0.38
PTGDR Q13258 1/20 0.38
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LDHA P00338 1/20 0.36

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
SCHEMBL7922173 0.83 KDM4E (0.35) TBXAS1MEN1KMT2ATBXA2RPTGFR
SCHEMBL7928601 0.74 PTGER3 (0.60) MEN1MAPTKMT2ATBXA2RPTGFR
SCHEMBL7928606 0.74 PTGER3 (0.60) MEN1MAPTKMT2ATBXA2RPTGFR
SCHEMBL7814525 0.73 PTGER3 (0.59) MEN1MAPTKMT2ATBXA2RPTGFR
SCHEMBL7814518 0.73 PTGER3 (0.59) MEN1MAPTKMT2ATBXA2RPTGFR
SCHEMBL9333725 0.73 KDM4E (0.51) MEN1MAPTKMT2ARAB9AHPGD
SCHEMBL11335306 0.73 GRIK1 (0.59) TBXAS1MEN1MAPTKMT2ACYP3A4
SCHEMBL321287 0.73 GRIK1 (0.59) TBXAS1MEN1MAPTKMT2ACYP3A4
Hydrochloric Acid SCHEMBL27356431 0.71 GRIK1 (0.58) TBXAS1MEN1MAPTKMT2ACYP3A4
SCHEMBL7931389 0.71 MAPT (0.46) MEN1MAPTKMT2ATBXA2RPTGFR

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-6242493-B1 PROSTAGLANDIN INHIBITORS; ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-06-05 US disclosed