SCHEMBL15949058

SCHEMBL15949058

Cc1cc(/C(C[C@H](c2ccc(-c3ccc(OC(=O)O)c(F)c3)cc2)c2ccc(Cl)cc2F)=N/O)ccn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 4/20 0.53
▸ CTSA P10619 4/20 0.34
▸ PPARG P37231 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ PRCP P42785 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ SCN9A Q15858 2/20 0.31
▸ FFAR4 Q5NUL3 2/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL15949202 1.00 GPBAR1 (0.53) GPBAR1CTSAPPARGPPARAFFAR1
SCHEMBL15949257 1.00 GPBAR1 (0.53) GPBAR1CTSAPPARGPPARAFFAR1
SCHEMBL15949290 0.95 GPBAR1 (0.53) GPBAR1CTSAPPARGPPARAFFAR1
SCHEMBL15949216 0.95 GPBAR1 (0.53) GPBAR1CTSAPPARGPPARAFFAR1
SCHEMBL15949102 0.95 GPBAR1 (0.53) GPBAR1CTSAPPARGPPARAFFAR1
SCHEMBL15949186 0.93 GPBAR1 (0.51) GPBAR1CTSAFFAR1
SCHEMBL15949214 0.91 GPBAR1 (0.56) GPBAR1CTSAFFAR1PSEN1PSEN2
SCHEMBL362667 0.88 GPBAR1 (0.58) GPBAR1FFAR1PSEN1PSEN2APH1B
SCHEMBL363003 0.88 GPBAR1 (0.58) GPBAR1FFAR1PSEN1PSEN2APH1B
SCHEMBL1390008 0.88 GPBAR1 (0.58) GPBAR1FFAR1PSEN1PSEN2APH1B

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
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 — — EP claimed
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