SCHEMBL4744449

SCHEMBL4744449

Cc1oc(-c2cccs2)nc1CCOc1cccc(CN2CCCCC2C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
KMT2A Q03164 1/20 0.52
PPARG P37231 13/20 0.51
PPARA Q07869 13/20 0.51
PPARD Q03181 3/20 0.51
CD274 Q9NZQ7 1/20 0.50
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 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
SCHEMBL4744569 1.00 KDM4E (0.52) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4747769 0.98 KDM4E (0.52) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4746680 0.98 KDM4E (0.52) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4744440 0.93 CD274 (0.55) KDM4EKMT2APPARGPPARACD274
SCHEMBL4744560 0.93 CD274 (0.55) KDM4EKMT2APPARGPPARACD274
SCHEMBL4746216 0.92 POLB (0.57) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4787444 0.91 PPARG (0.57) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4744454 0.91 PPARG (0.57) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4744732 0.91 KDM4E (0.53) KDM4EKMT2APPARGPPARAPPARD
SCHEMBL4743960 0.91 KDM4E (0.53) 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