SCHEMBL15949083

SCHEMBL15949083

Cc1cc(/C(CC(c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2)c2ccc(Cl)cc2F)=N\O)ccn1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 4/20 0.58
▸ ADRB1 P08588 3/20 0.37
▸ ADRB3 P13945 3/20 0.37
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ RARB P10826 3/20 0.34
▸ RARA P10276 2/20 0.34
▸ RARG P13631 1/20 0.34
▸ PRCP P42785 1/20 0.33
▸ FTO Q9C0B1 1/20 0.33
▸ WNT3A P56704 1/20 0.33
▸ FFAR1 O14842 2/20 0.32
▸ PLA2G4A P47712 1/20 0.32
▸ KDM4C Q9H3R0 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
SCHEMBL370968 1.00 GPBAR1 (0.58) GPBAR1ADRB1ADRB3PSEN1PSEN2
SCHEMBL362667 1.00 GPBAR1 (0.58) GPBAR1ADRB1ADRB3PSEN1PSEN2
SCHEMBL363946 1.00 GPBAR1 (0.58) GPBAR1ADRB1ADRB3PSEN1PSEN2
SCHEMBL1389951 1.00 GPBAR1 (0.58) GPBAR1ADRB1ADRB3PSEN1PSEN2
SCHEMBL363003 1.00 GPBAR1 (0.58) GPBAR1ADRB1ADRB3PSEN1PSEN2
SCHEMBL1390008 1.00 GPBAR1 (0.58) GPBAR1ADRB1ADRB3PSEN1PSEN2
SCHEMBL1390482 0.95 GPBAR1 (0.58) GPBAR1ADRB1ADRB3PSEN1PSEN2
SCHEMBL364010 0.95 GPBAR1 (0.58) GPBAR1ADRB1ADRB3PSEN1PSEN2
SCHEMBL1389712 0.95 GPBAR1 (0.58) GPBAR1ADRB1ADRB3PSEN1PSEN2
SCHEMBL364252 0.95 GPBAR1 (0.58) GPBAR1ADRB1ADRB3PSEN1PSEN2

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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