SCHEMBL15520263

SCHEMBL15520263

C[C@@H](c1ccc(-c2ccc(OC(=O)O)c(F)c2)cc1Cl)[C@](O)(c1ccc2oc(=O)n(C)c2c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 3/20 0.35
KMO O15229 3/20 0.33
CYP11B2 P19099 1/20 0.33
CTSC P53634 1/20 0.32
KCNJ1 P48048 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL15520807 1.00 GPR55 (0.35) GPR55KMOCYP11B2CTSCKCNJ1
SCHEMBL15520636 1.00 GPR55 (0.35) GPR55KMOCYP11B2CTSCKCNJ1
SCHEMBL15520009 0.95 GPR55 (0.35) GPR55KMOCYP11B2
SCHEMBL15520731 0.94 GPR55 (0.35) GPR55KMOCYP11B2CTSCMAPT
SCHEMBL15520180 0.94 CYP11B2 (0.38) GPR55KMOCYP11B2MAPT
SCHEMBL15520282 0.94 GPR55 (0.37) GPR55KMOCYP11B2CTSCKCNJ1
SCHEMBL15520367 0.92 POLB (0.33) GPR55KMOCYP11B2MAPT
SCHEMBL15520790 0.90 KMO (0.35) GPR55KMOCYP11B2CTSC
SCHEMBL15520707 0.89 CYP11B2 (0.39) GPR55KMOCYP11B2MAPT
SCHEMBL15520708 0.89 CYP11B2 (0.38) GPR55KMOCYP11B2MAPT

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-2411365-B1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-03-19 EP claimed