SCHEMBL15958990

SCHEMBL15958990

C=C(OCC)c1cccc(-c2ccc(C(C/C(=N\O)c3ccnc(C)c3)c3ccccc3C)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.68
▸ CTSA P10619 2/20 0.34
▸ 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
▸ WNT3A P56704 1/20 0.32
▸ CYP17A1 P05093 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
SCHEMBL363213 0.90 GPBAR1 (0.73) GPBAR1
SCHEMBL1389756 0.90 GPBAR1 (0.73) GPBAR1
SCHEMBL10240959 0.90 GPBAR1 (0.73) GPBAR1
SCHEMBL363572 0.87 GPBAR1 (0.86) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL10240962 0.87 GPBAR1 (0.86) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL1389562 0.87 GPBAR1 (0.86) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL15949206 0.84 GPBAR1 (0.70) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL1390003 0.83 GPBAR1 (0.72) GPBAR1CTSA
SCHEMBL1390001 0.83 GPBAR1 (0.72) GPBAR1CTSA
SCHEMBL1390004 0.83 GPBAR1 (0.72) GPBAR1CTSA

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 disclosed
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