SCHEMBL15949187

SCHEMBL15949187

Cc1cc(/C(CC(c2ccc(-c3ccc(OC(=O)O)cc3C)cc2)c2ccc(Cl)cc2F)=N/O)ccn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 4/20 0.51
▸ FFAR1 O14842 8/20 0.36
▸ CTSA P10619 3/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ SLC1A3 P43003 1/20 0.30
▸ SLC1A2 P43004 1/20 0.30
▸ SLC1A1 P43005 1/20 0.30
▸ DAGLA Q9Y4D2 1/20 0.30

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
SCHEMBL15949214 0.92 GPBAR1 (0.56) GPBAR1FFAR1CTSAKCNH2KDM5B
SCHEMBL364258 0.89 GPBAR1 (0.61) GPBAR1FFAR1CTSAAKR1C3AKR1C2
SCHEMBL1389844 0.89 GPBAR1 (0.61) GPBAR1FFAR1CTSAAKR1C3AKR1C2
SCHEMBL1389847 0.89 GPBAR1 (0.61) GPBAR1FFAR1CTSAAKR1C3AKR1C2
SCHEMBL15949235 0.85 GPBAR1 (0.62) GPBAR1FFAR1KCNH2KDM4CKDM5B
SCHEMBL15949198 0.85 GPBAR1 (0.62) GPBAR1FFAR1KCNH2KDM4CKDM5B
SCHEMBL15949251 0.85 GPBAR1 (0.62) GPBAR1FFAR1KCNH2KDM4CKDM5B
SCHEMBL15949290 0.85 GPBAR1 (0.53) GPBAR1FFAR1CTSAKDM5B
SCHEMBL15949102 0.85 GPBAR1 (0.53) GPBAR1FFAR1CTSAKDM5B
SCHEMBL15949257 0.85 GPBAR1 (0.53) GPBAR1FFAR1CTSAKDM5B

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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