SCHEMBL4746216

SCHEMBL4746216

CCOC(=O)C1CCCCN1Cc1cccc(OCCc2nc(-c3cccs3)oc2C)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
KDM4E B2RXH2 6/20 0.50
PPARG P37231 11/20 0.49
PPARA Q07869 11/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PPARD Q03181 3/20 0.47
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL4747247 0.93 POLB (0.62) POLBKMT2AMEN1KDM4EPPARG
SCHEMBL4744569 0.92 KDM4E (0.52) POLBKMT2AKDM4EPPARGPPARA
SCHEMBL4744449 0.92 KDM4E (0.52) POLBKMT2AKDM4EPPARGPPARA
SCHEMBL4744764 0.91 KDM4E (0.53) POLBKMT2AMEN1KDM4EPPARG
SCHEMBL4744766 0.91 KDM4E (0.53) POLBKMT2AMEN1KDM4EPPARG
SCHEMBL4746680 0.89 KDM4E (0.52) KMT2AKDM4EPPARGPPARAALDH1A1
SCHEMBL4747769 0.89 KDM4E (0.52) KMT2AKDM4EPPARGPPARAALDH1A1
SCHEMBL4748226 0.87 POLB (0.59) POLBKMT2AMEN1PPARGPPARA
SCHEMBL4747541 0.87 KDM4E (0.53) POLBKMT2AMEN1KDM4EPPARG
SCHEMBL4747542 0.87 KDM4E (0.53) POLBKMT2AMEN1KDM4EPPARG

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