SCHEMBL4747301

SCHEMBL4747301

COC(=O)[C@H]1CCCCN1Cc1cccc(OCc2nc(-c3ccccc3)oc2C)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
KDR P35968 1/20 0.58
CD274 Q9NZQ7 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PPARA Q07869 12/20 0.51
PPARG P37231 11/20 0.51
MAPT P10636 1/20 0.47
FFAR1 O14842 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47

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
SCHEMBL4747305 1.00 POLB (0.59) POLBKDRCD274MEN1KMT2A
SCHEMBL4747374 0.98 KDR (0.58) POLBKDRCD274MEN1KMT2A
SCHEMBL4748578 0.98 KDR (0.58) POLBKDRCD274MEN1KMT2A
SCHEMBL4747378 0.98 KDR (0.58) POLBKDRCD274MEN1KMT2A
SCHEMBL4746276 0.96 KDR (0.57) POLBKDRCD274MEN1KMT2A
SCHEMBL4746275 0.96 KDR (0.57) POLBKDRCD274MEN1KMT2A
Methane SCHEMBL4788111 0.94 POLB (0.53) POLBKDRCD274MEN1KMT2A
SCHEMBL4744001 0.93 CD274 (0.65) POLBKDRCD274MEN1KMT2A
SCHEMBL4743927 0.93 CD274 (0.65) POLBKDRCD274MEN1KMT2A
SCHEMBL4744825 0.92 POLB (0.53) POLBKDRMEN1KMT2APPARA

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