SCHEMBL15580707

SCHEMBL15580707

C=Cc1ccc(Oc2ccc(C(=O)OC)cc2)cc1[C@H](C)[C@](O)(c1ccc2c(c1)N(C)C(=O)CO2)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.32
LMNA P02545 1/20 0.32
USP30 Q70CQ3 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL474364 0.89 GPR55 (0.33) PTGER3LMNAUSP30ALDH1A1GPR55
SCHEMBL12163733 0.89 GPR55 (0.33) PTGER3LMNAUSP30ALDH1A1GPR55
SCHEMBL474720 0.87 PTGER3 (0.33) PTGER3LMNAUSP30ALDH1A1GPR55
SCHEMBL15580672 0.86 ALDH1A1 (0.33) PTGER3USP30ALDH1A1GPR55L3MBTL1
SCHEMBL12163734 0.81 ALDH1A1 (0.35) PTGER3LMNAUSP30ALDH1A1GPR55
SCHEMBL473937 0.81 ALDH1A1 (0.35) PTGER3LMNAUSP30ALDH1A1GPR55
SCHEMBL474637 0.81 CBX7 (0.35) PTGER3USP30MALT1L3MBTL1
SCHEMBL12163738 0.80 GPR55 (0.33) ALDH1A1GPR55MALT1KMT2AL3MBTL1
SCHEMBL474292 0.80 GPR55 (0.33) ALDH1A1GPR55MALT1KMT2AL3MBTL1
SCHEMBL12163913 0.80 ALDH1A1 (0.35) PTGER3LMNAUSP30ALDH1A1GPR55

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 disclosed