SCHEMBL4747769

SCHEMBL4747769

Cc1oc(-c2cccs2)nc1CCOc1cccc(CN2CCC[C@H]2C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
KMT2A Q03164 1/20 0.52
PPARG P37231 15/20 0.51
PPARA Q07869 15/20 0.51
PPARD Q03181 3/20 0.51
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CD274 Q9NZQ7 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
SCHEMBL4746680 1.00 KDM4E (0.52) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4744569 0.98 KDM4E (0.52) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4744449 0.98 KDM4E (0.52) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4743960 0.93 KDM4E (0.53) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4744730 0.93 KDM4E (0.53) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4744732 0.93 KDM4E (0.53) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4744764 0.92 KDM4E (0.53) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4744766 0.92 KDM4E (0.53) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4748385 0.91 PPARG (0.58) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4748383 0.91 PPARG (0.58) KDM4EKMT2APPARGPPARAPPARD

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