SCHEMBL15949248

SCHEMBL15949248

Cc1cc(C(CC(c2cccc(-c3ccc(OC(=O)O)nc3)c2)c2ccccc2C)=NO)ccn1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.63
▸ CTSA P10619 8/20 0.43
▸ PSEN1 P49768 5/20 0.37
▸ PSEN2 P49810 5/20 0.37
▸ APH1B Q8WW43 5/20 0.37
▸ NCSTN Q92542 5/20 0.37
▸ APH1A Q96BI3 5/20 0.37
▸ PSENEN Q9NZ42 5/20 0.37

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
SCHEMBL15949236 0.89 GPBAR1 (0.69) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL1389973 0.88 GPBAR1 (0.70) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL10241001 0.88 GPBAR1 (0.70) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL359460 0.88 GPBAR1 (0.70) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL15949120 0.88 GPBAR1 (0.65) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL15949322 0.86 GPBAR1 (0.62) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL1389564 0.85 GPBAR1 (0.86) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL1389566 0.85 GPBAR1 (0.86) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL363578 0.85 GPBAR1 (0.86) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL362979 0.84 GPBAR1 (0.75) GPBAR1CTSAPSEN1PSEN2APH1B

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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