SCHEMBL4744730

SCHEMBL4744730

Cc1oc(-c2cccs2)nc1COc1cccc(CN2CCC[C@@H]2C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
KMT2A Q03164 4/20 0.53
CD274 Q9NZQ7 1/20 0.51
POLB P06746 2/20 0.50
PPARA Q07869 8/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SPHK1 Q9NYA1 1/20 0.46
KDR P35968 1/20 0.46
PPARG P37231 7/20 0.46
MEN1 O00255 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PPARD Q03181 3/20 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
SCHEMBL4743960 1.00 KDM4E (0.53) KDM4EKMT2ACD274POLBPPARA
SCHEMBL4744732 1.00 KDM4E (0.53) KDM4EKMT2ACD274POLBPPARA
SCHEMBL4744440 0.98 CD274 (0.55) KDM4EKMT2ACD274POLBPPARA
SCHEMBL4744560 0.98 CD274 (0.55) KDM4EKMT2ACD274POLBPPARA
SCHEMBL4746680 0.93 KDM4E (0.52) KDM4EKMT2ACD274PPARAALDH1A1
SCHEMBL4747769 0.93 KDM4E (0.52) KDM4EKMT2ACD274PPARAALDH1A1
SCHEMBL4748561 0.92 KDM4E (0.54) KDM4EKMT2ACD274POLBPPARA
SCHEMBL4743889 0.92 KDM4E (0.54) KDM4EKMT2ACD274POLBPPARA
SCHEMBL4743885 0.92 KDM4E (0.54) KDM4EKMT2ACD274POLBPPARA
SCHEMBL4743654 0.91 PPARA (0.57) KDM4EKMT2ACD274POLBPPARA

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