SCHEMBL2835282

SCHEMBL2835282

CC(C)N(Cc1ccc(-c2ccc(CN(C)CCO)cc2)s1)c1ccc(F)cc1.COc1ccc2c(c1)OC(CCc1ccc(OCCO)cc1)C2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.31
S1PR1 P21453 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
SLC2A4 P14672 1/20 0.30
SLC2A8 Q9NY64 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
SCHEMBL2835275 0.90 PPARG (0.31) PPARGPPARA
SCHEMBL2835279 0.86
SCHEMBL177246 0.84
SCHEMBL177247 0.80
SCHEMBL177244 0.78 ACKR3 (0.44) ACKR3S1PR1
SCHEMBL177299 0.75 FFAR1 (0.39)
SCHEMBL177580 0.68 S1PR1 (0.42) ACKR3S1PR1
SCHEMBL12038120 0.67 MAOA (0.38) S1PR1PPARG
SCHEMBL177055 0.66 S1PR1 (0.38) ACKR3S1PR1
SCHEMBL177102 0.65 CYP26A1 (0.47)

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
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO claimed