SCHEMBL4029329

SCHEMBL4029329

CCOC(CCOS(C)(=O)=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.50
PPARG P37231 2/20 0.47
AR P10275 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL4030636 0.80 FFAR1 (0.53) FFAR1PPARGRAB9ASMN1; SMN2PPARD
SCHEMBL4026189 0.79 FFAR1 (0.50) FFAR1PPARGPPARA
SCHEMBL1508341 0.79 FFAR1 (0.47) FFAR1PPARG
SCHEMBL1508339 0.79 FFAR1 (0.47) FFAR1PPARG
SCHEMBL4029325 0.77 AR (0.47) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL5691423 0.75 AR (0.56) FFAR1ARNPC1HPGDRAB9A
SCHEMBL4025989 0.75 PPARG (0.45) FFAR1PPARGHPGDPPARA
SCHEMBL874437 0.74 AR (0.62) FFAR1ARNPC1HPGDRAB9A
SCHEMBL4030089 0.74 PPARG (0.56) PPARGPPARDPPARA
SCHEMBL3187746 0.73 MGLL (0.59) FFAR1ARNPC1HPGDRAB9A

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-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP claimed