SCHEMBL4747541

SCHEMBL4747541

COC(=O)[C@H]1CCCCN1Cc1cccc(OCc2nc(-c3cccs3)oc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 2/20 0.52
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.47
PPARA Q07869 5/20 0.46
CD274 Q9NZQ7 1/20 0.46
PPARG P37231 4/20 0.44
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
KDR P35968 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4747542 1.00 KDM4E (0.53) KDM4EKMT2APOLBALDH1A1LMNA
SCHEMBL4743885 0.98 KDM4E (0.54) KDM4EKMT2APOLBALDH1A1LMNA
SCHEMBL4743889 0.98 KDM4E (0.54) KDM4EKMT2APOLBALDH1A1LMNA
SCHEMBL4748561 0.98 KDM4E (0.54) KDM4EKMT2APOLBALDH1A1LMNA
SCHEMBL4747247 0.93 POLB (0.62) KDM4EKMT2APOLBALDH1A1LMNA
SCHEMBL4744440 0.92 CD274 (0.55) KDM4EKMT2APOLBALDH1A1LMNA
SCHEMBL4744560 0.92 CD274 (0.55) KDM4EKMT2APOLBALDH1A1LMNA
SCHEMBL4748463 0.92 PPARA (0.53) KDM4EKMT2APOLBALDH1A1LMNA
SCHEMBL4748465 0.92 PPARA (0.53) KDM4EKMT2APOLBALDH1A1LMNA
SCHEMBL4744764 0.91 KDM4E (0.53) KDM4EKMT2APOLBALDH1A1LMNA

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