SCHEMBL4747378

SCHEMBL4747378

COC(=O)C1CCCN1Cc1cccc(OCc2nc(-c3ccccc3)oc2C)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.58
POLB P06746 1/20 0.58
CD274 Q9NZQ7 1/20 0.53
PPARG P37231 10/20 0.51
PPARA Q07869 10/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SPHK1 Q9NYA1 1/20 0.49
MAPT P10636 1/20 0.48
FFAR1 O14842 1/20 0.48
PTGIR P43119 2/20 0.48

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
SCHEMBL4748578 1.00 KDR (0.58) KDRPOLBCD274PPARGPPARA
SCHEMBL4747374 1.00 KDR (0.58) KDRPOLBCD274PPARGPPARA
SCHEMBL4746275 0.98 KDR (0.57) KDRPOLBCD274PPARGPPARA
SCHEMBL4746276 0.98 KDR (0.57) KDRPOLBCD274PPARGPPARA
SCHEMBL4747305 0.98 POLB (0.59) KDRPOLBCD274PPARGPPARA
SCHEMBL4747301 0.98 POLB (0.59) KDRPOLBCD274PPARGPPARA
SCHEMBL4744825 0.94 POLB (0.53) KDRPOLBPPARGPPARAMEN1
SCHEMBL4744826 0.94 POLB (0.53) KDRPOLBPPARGPPARAMEN1
SCHEMBL4744012 0.93 CD274 (0.61) KDRPOLBCD274PPARGPPARA
SCHEMBL4744628 0.93 CD274 (0.61) KDRPOLBCD274PPARGPPARA

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