SCHEMBL4744440

SCHEMBL4744440

Cc1oc(-c2cccs2)nc1COc1cccc(CN2CCCCC2C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.55
KDM4E B2RXH2 7/20 0.52
KMT2A Q03164 4/20 0.52
POLB P06746 2/20 0.51
PPARA Q07869 4/20 0.49
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
PPARG P37231 3/20 0.47
MEN1 O00255 2/20 0.46
PDCD1 Q15116 2/20 0.45
KDR P35968 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SPHK1 Q9NYA1 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43

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
SCHEMBL4744560 1.00 CD274 (0.55) CD274KDM4EKMT2APOLBPPARA
SCHEMBL4744730 0.98 KDM4E (0.53) CD274KDM4EKMT2APOLBPPARA
SCHEMBL4744732 0.98 KDM4E (0.53) CD274KDM4EKMT2APOLBPPARA
SCHEMBL4743960 0.98 KDM4E (0.53) CD274KDM4EKMT2APOLBPPARA
SCHEMBL4744449 0.93 KDM4E (0.52) CD274KDM4EKMT2APOLBPPARA
SCHEMBL4744569 0.93 KDM4E (0.52) CD274KDM4EKMT2APOLBPPARA
SCHEMBL4747542 0.92 KDM4E (0.53) CD274KDM4EKMT2APOLBPPARA
SCHEMBL4747541 0.92 KDM4E (0.53) CD274KDM4EKMT2APOLBPPARA
SCHEMBL4747247 0.92 POLB (0.62) CD274KDM4EKMT2APOLBPPARA
SCHEMBL4747769 0.91 KDM4E (0.52) CD274KDM4EKMT2APPARAALDH1A1

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