SCHEMBL4744513

SCHEMBL4744513

CC(C)c1oc(-c2ccccc2)nc1CCOc1cccc(CO)c1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.66
PPARG P37231 19/20 0.56
PPARA Q07869 17/20 0.53

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
SCHEMBL4748511 0.88 PPARG (0.54) PPARGPPARA
SCHEMBL12617514 0.85 KDR (0.81) KDRPPARGPPARA
SCHEMBL4744565 0.83 PPARG (0.56) KDRPPARGPPARA
SCHEMBL4034790 0.80 KDR (1.00) KDRPPARGPPARA
SCHEMBL4057018 0.79 PPARG (0.52) PPARGPPARA
SCHEMBL4747380 0.79 PPARG (0.56) PPARGPPARA
SCHEMBL4747382 0.79 PPARG (0.56) PPARGPPARA
SCHEMBL4059413 0.78 PPARG (0.50) PPARGPPARA
SCHEMBL12616941 0.78 KDR (0.69) KDRPPARGPPARA
SCHEMBL7737618 0.77 RAB9A (0.48) KDRPPARGPPARA

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-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed