SCHEMBL7922173

SCHEMBL7922173

CCC(=Cc1cc(Cl)ccc1CBr)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRIK1 P39086 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGFR P43088 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
PTGIR P43119 1/20 0.34
PTGDR Q13258 1/20 0.34
ATM Q13315 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TBXAS1 P24557 2/20 0.33
ERN1 O75460 1/20 0.33
PPARG P37231 1/20 0.32
EPHX1 P07099 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL7931394 0.83 TBXAS1 (0.41) MEN1KMT2AGRIK1TBXA2RPTGFR
SCHEMBL7955217 0.79 EPHX2 (0.41) KDM4EKMT2ATBXAS1PPARGEPHX2
SCHEMBL9333725 0.75 KDM4E (0.51) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7817711 0.73 PTGER3 (0.56) KDM4EALDH1A1TBXA2RPTGFRPTGER3
SCHEMBL7817709 0.73 PTGER3 (0.56) KDM4EALDH1A1TBXA2RPTGFRPTGER3
SCHEMBL11335306 0.72 GRIK1 (0.59) MEN1ALDH1A1KMT2AGRIK1TBXAS1
SCHEMBL321287 0.72 GRIK1 (0.59) MEN1ALDH1A1KMT2AGRIK1TBXAS1
SCHEMBL3080648 0.71 ERN1 (0.52) KDM4EALDH1A1TBXA2RPTGFRPTGER3
Hydrochloric Acid SCHEMBL27356431 0.70 GRIK1 (0.58) MEN1ALDH1A1KMT2AGRIK1TBXAS1
SCHEMBL11333114 0.70 KMT2A (0.50) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2

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