SCHEMBL3391343

SCHEMBL3391343

CCC(C(=O)O)(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.47
▸ MIF P14174 1/20 0.46
▸ CHRM2 P08172 3/20 0.44
▸ CHRM1 P11229 3/20 0.44
▸ KIF11 P52732 2/20 0.44
▸ CHRM3 P20309 2/20 0.44
▸ BCL2 P10415 1/20 0.43
▸ DRD2 P14416 3/20 0.42
▸ DRD3 P35462 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ ADRA2A P08913 3/20 0.41
▸ DRD4 P21917 3/20 0.41
▸ SLC6A4 P31645 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HRH2 P25021 2/20 0.41
▸ ADRA1A P35348 2/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ SCN5A Q14524 2/20 0.41

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
SCHEMBL396913 0.89 CHRM2 (0.51) OPRM1CHRM2CHRM1KIF11CHRM3
SCHEMBL3392692 0.86 OPRM1 (0.51) OPRM1MIFCHRM2CHRM1KIF11
SCHEMBL27330636 0.84 OPRM1 (0.48) OPRM1MIFCHRM2CHRM1KIF11
SCHEMBL27965739 0.84 ESR1 (0.52) OPRM1CHRM2CHRM1KIF11CHRM3
SCHEMBL10452446 0.82 KCNN4 (0.51) OPRM1CHRM2CHRM1KIF11CHRM3
Phosphonic Acid SCHEMBL29035527 0.81 CHRM2 (0.46) OPRM1CHRM2CHRM1KIF11CHRM3
SCHEMBL10539630 0.78 MIF (0.48) MIFKIF11BCL2CYP1A2PPARA
SCHEMBL4192907 0.77 ESR1 (0.54) CYP1A2SLC6A4KMT2AMEN1LMNA
SCHEMBL11752498 0.77 CHRM2 (0.51) OPRM1CHRM2CHRM1KIF11CHRM3
SCHEMBL19031877 0.76 CYP19A1 (0.43) OPRM1CHRM2CHRM1CHRM3DRD2

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
WO-2010054319-A2 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-05-14 — — WO disclosed
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