SCHEMBL15949337

SCHEMBL15949337

Cc1cc(/C(C[C@@H](c2ccc(-c3ccc(OC(=O)O)cc3)cc2)c2ccccc2C)=N/O)ccn1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.79
▸ PORCN Q9H237 2/20 0.40
▸ CTSA P10619 5/20 0.37
▸ NR3C2 P08235 1/20 0.36
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33

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
SCHEMBL15949282 1.00 GPBAR1 (0.79) GPBAR1PORCNCTSANR3C2PSEN1
SCHEMBL15949232 1.00 GPBAR1 (0.79) GPBAR1PORCNCTSANR3C2PSEN1
SCHEMBL15949249 1.00 GPBAR1 (0.79) GPBAR1PORCNCTSANR3C2PSEN1
SCHEMBL15949051 1.00 GPBAR1 (0.79) GPBAR1PORCNCTSANR3C2PSEN1
SCHEMBL15949226 0.93 GPBAR1 (0.74) GPBAR1PORCNCTSAPSEN1PSEN2
SCHEMBL15949236 0.93 GPBAR1 (0.69) GPBAR1PORCNCTSAPSEN1PSEN2
SCHEMBL15949323 0.93 GPBAR1 (0.77) GPBAR1PORCNCTSANR3C2PSEN1
SCHEMBL15949183 0.91 GPBAR1 (0.66) GPBAR1PORCNCTSANR3C2ROCK2
SCHEMBL15949185 0.90 GPBAR1 (0.70) GPBAR1PORCNCTSANR3C2PSEN1
SCHEMBL15949100 0.90 GPBAR1 (0.63) GPBAR1CTSAMEN1KMT2ATDP1

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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