SCHEMBL4744012

SCHEMBL4744012

Cc1oc(-c2ccccc2)nc1COc1cccc(CN2CCCC2C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 7/20 0.61
KDR P35968 1/20 0.61
POLB P06746 1/20 0.56
PPARG P37231 9/20 0.53
PPARA Q07869 9/20 0.53
SPHK1 Q9NYA1 1/20 0.52
PDCD1 Q15116 2/20 0.51
FFAR1 O14842 1/20 0.50

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
SCHEMBL4744628 1.00 CD274 (0.61) CD274KDRPOLBPPARGPPARA
SCHEMBL4743664 0.98 CD274 (0.60) CD274KDRPOLBPPARGPPARA
SCHEMBL4746619 0.98 CD274 (0.60) CD274KDRPOLBPPARGPPARA
SCHEMBL4743927 0.97 CD274 (0.65) CD274KDRPOLBPPARGPPARA
SCHEMBL4744001 0.97 CD274 (0.65) CD274KDRPOLBPPARGPPARA
SCHEMBL4747847 0.96 CD274 (0.63) CD274KDRPOLBPPARGPPARA
SCHEMBL4748070 0.95 CD274 (0.55) CD274KDRPOLBPPARGPPARA
SCHEMBL4748063 0.95 CD274 (0.55) CD274KDRPOLBPPARGPPARA
SCHEMBL4748003 0.95 CD274 (0.55) CD274KDRPOLBPPARGPPARA
SCHEMBL4748578 0.93 KDR (0.58) CD274KDRPOLBPPARGPPARA

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 2 patents. 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 claimed
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