SCHEMBL4031984

SCHEMBL4031984

CCOC(CCSCC)c1ccc(OCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.51
PPARA Q07869 16/20 0.51
FFAR1 O14842 1/20 0.50
KDR P35968 1/20 0.47
MAPT P10636 1/20 0.43

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
SCHEMBL4025387 0.91 PPARG (0.57) PPARGPPARA
SCHEMBL4026013 0.89 FFAR1 (0.54) PPARGPPARAFFAR1KDRMAPT
SCHEMBL4026911 0.88 FFAR1 (0.56) PPARGPPARAFFAR1KDRMAPT
SCHEMBL4027562 0.87 FFAR1 (0.53) PPARGPPARAFFAR1KDRMAPT
SCHEMBL4028565 0.87 FFAR1 (0.53) PPARGPPARAFFAR1KDRMAPT
SCHEMBL4030774 0.86 FFAR1 (0.52) PPARGPPARAFFAR1KDR
SCHEMBL4025977 0.85 PPARA (0.52) PPARGPPARAFFAR1KDRMAPT
SCHEMBL4028342 0.85 PPARA (0.51) PPARGPPARAFFAR1KDRMAPT
SCHEMBL4031222 0.85 FFAR1 (0.50) PPARGPPARAFFAR1KDRMAPT
SCHEMBL4025872 0.85 FFAR1 (0.50) PPARGPPARAFFAR1KDRMAPT

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