SCHEMBL15949235

SCHEMBL15949235

Cc1cc(/C(C[C@H](c2ccc(-c3ccc(OC(=O)O)cc3)cc2)c2ccc(Cl)cc2C)=N/O)ccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.62
▸ KCNH2 Q12809 1/20 0.35
▸ PORCN Q9H237 1/20 0.35
▸ FFAR1 O14842 7/20 0.34
▸ PROKR1 Q8TCW9 1/20 0.34
▸ PRCP P42785 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ KDM6B O15054 1/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ KDM4B O94953 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ KDM4D Q6B0I6 1/20 0.33
▸ KDM2B Q8NHM5 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ KDM2A Q9Y2K7 1/20 0.33
▸ KDM3A Q9Y4C1 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 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
SCHEMBL15949251 1.00 GPBAR1 (0.62) GPBAR1KCNH2PORCNFFAR1PROKR1
SCHEMBL15949198 1.00 GPBAR1 (0.62) GPBAR1KCNH2PORCNFFAR1PROKR1
SCHEMBL15949214 0.91 GPBAR1 (0.56) GPBAR1KCNH2PORCNFFAR1PRCP
SCHEMBL15949179 0.90 GPBAR1 (0.62) GPBAR1PORCNFFAR1KDM5AKDM4C
SCHEMBL1389772 0.89 GPBAR1 (0.78) GPBAR1PROKR1PRCPKDM4EKDM6B
SCHEMBL1389975 0.89 GPBAR1 (0.78) GPBAR1PROKR1PRCPKDM4EKDM6B
SCHEMBL363114 0.89 GPBAR1 (0.78) GPBAR1PROKR1PRCPKDM4EKDM6B
SCHEMBL363135 0.89 GPBAR1 (0.78) GPBAR1PROKR1PRCPKDM4EKDM6B
SCHEMBL370856 0.89 GPBAR1 (0.78) GPBAR1PROKR1PRCPKDM4EKDM6B
SCHEMBL370854 0.89 GPBAR1 (0.78) GPBAR1PROKR1PRCPKDM4EKDM6B

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
Send feedback