SCHEMBL4688338

SCHEMBL4688338

COc1ccccc1C=C(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
KDM4E B2RXH2 3/20 0.52
KMT2A Q03164 3/20 0.52
PKM P14618 1/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 4/20 0.51
BCHE P06276 1/20 0.51
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 1/20 0.49
HPGD P15428 2/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.47
NFE2L2 Q16236 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
SCHEMBL4688334 1.00 LMNA (0.52) LMNANPC1RAB9AKDM4EKMT2A
SCHEMBL4691245 0.91 KDM4E (0.57) LMNAKDM4EKMT2APKMALDH1A1
SCHEMBL4691246 0.91 KDM4E (0.57) LMNAKDM4EKMT2APKMALDH1A1
SCHEMBL4688681 0.90 LMNA (0.54) LMNANPC1RAB9AKDM4EKMT2A
SCHEMBL4688679 0.90 LMNA (0.54) LMNANPC1RAB9AKDM4EKMT2A
SCHEMBL5896733 0.84 HTT (0.49) LMNARAB9AKMT2APKMALDH1A1
SCHEMBL5896739 0.84 HTT (0.49) LMNARAB9AKMT2APKMALDH1A1
SCHEMBL5896721 0.84 HTT (0.49) LMNARAB9AKMT2APKMALDH1A1
SCHEMBL4687303 0.82 SMN1; SMN2 (0.57) LMNANPC1RAB9AKDM4EKMT2A
SCHEMBL4692062 0.82 KDM4E (0.57) LMNANPC1RAB9AKDM4EKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581496-A4 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES INC (US) 2008-04-23 EP disclosed
EP-1581496-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2005-10-05 EP disclosed
WO-2004050613-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2004-06-17 WO disclosed