SCHEMBL4747247

SCHEMBL4747247

CCOC(=O)C1CCCCN1Cc1cccc(OCc2nc(-c3cccs3)oc2C)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
KDM4E B2RXH2 9/20 0.51
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PPARA Q07869 4/20 0.49
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
LMNA P02545 1/20 0.46
CD274 Q9NZQ7 1/20 0.45
TSHR P16473 1/20 0.45
PPARG P37231 3/20 0.43
KDR P35968 1/20 0.42

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
SCHEMBL4746216 0.93 POLB (0.57) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL4747541 0.93 KDM4E (0.53) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL4747542 0.93 KDM4E (0.53) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL4744560 0.92 CD274 (0.55) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL4744440 0.92 CD274 (0.55) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL4743889 0.91 KDM4E (0.54) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL4748561 0.91 KDM4E (0.54) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL4743885 0.91 KDM4E (0.54) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL4743960 0.89 KDM4E (0.53) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL4744732 0.89 KDM4E (0.53) POLBKMT2AMEN1KDM4EALDH1A1

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