SCHEMBL15949214

SCHEMBL15949214

Cc1cc(/C(CC(c2ccc(-c3ccc(OC(=O)O)cc3)cc2)c2ccc(Cl)cc2F)=N/O)ccn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.56
▸ PORCN Q9H237 1/20 0.34
▸ PRCP P42785 1/20 0.33
▸ CTSA P10619 2/20 0.33
▸ KCNH2 Q12809 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
▸ KDM5A P29375 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ S1PR1 P21453 2/20 0.31
▸ S1PR3 Q99500 2/20 0.31
▸ FFAR1 O14842 2/20 0.31
▸ CHRNA7 P36544 2/20 0.31
▸ SCN9A Q15858 2/20 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
SCHEMBL15949187 0.92 GPBAR1 (0.51) GPBAR1CTSAKCNH2KDM5BFFAR1
SCHEMBL15949235 0.91 GPBAR1 (0.62) GPBAR1PORCNPRCPKCNH2PSEN1
SCHEMBL15949251 0.91 GPBAR1 (0.62) GPBAR1PORCNPRCPKCNH2PSEN1
SCHEMBL15949198 0.91 GPBAR1 (0.62) GPBAR1PORCNPRCPKCNH2PSEN1
SCHEMBL15949257 0.91 GPBAR1 (0.53) GPBAR1PRCPCTSAPSEN1PSEN2
SCHEMBL15949290 0.91 GPBAR1 (0.53) GPBAR1PRCPCTSAPSEN1PSEN2
SCHEMBL15949216 0.91 GPBAR1 (0.53) GPBAR1PRCPCTSAPSEN1PSEN2
SCHEMBL15949102 0.91 GPBAR1 (0.53) GPBAR1PRCPCTSAPSEN1PSEN2
SCHEMBL15949058 0.91 GPBAR1 (0.53) GPBAR1PRCPCTSAPSEN1PSEN2
SCHEMBL15949202 0.91 GPBAR1 (0.53) GPBAR1PRCPCTSAPSEN1PSEN2

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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