SCHEMBL4688679

SCHEMBL4688679

COC(=O)/C(=C\c1ccccc1OC)NC(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 5/20 0.50
MAPT P10636 5/20 0.50
KMT2A Q03164 5/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
BCHE P06276 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.48
PKM P14618 1/20 0.48
PLIN1 O60240 1/20 0.48
PLIN5 Q00G26 1/20 0.48
ABHD5 Q8WTS1 1/20 0.48

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
SCHEMBL4688681 1.00 LMNA (0.54) LMNANPC1RAB9AALDH1A1KDM4E
SCHEMBL4688338 0.90 LMNA (0.52) LMNANPC1RAB9AALDH1A1KDM4E
SCHEMBL4688334 0.90 LMNA (0.52) LMNANPC1RAB9AALDH1A1KDM4E
SCHEMBL4692207 0.90 KDM4E (0.60) LMNAALDH1A1KDM4EMAPTKMT2A
SCHEMBL4692202 0.90 KDM4E (0.60) LMNAALDH1A1KDM4EMAPTKMT2A
SCHEMBL27533555 0.84 KDM4E (0.54) LMNANPC1RAB9AALDH1A1KDM4E
SCHEMBL2152941 0.83 LMNA (0.57) LMNAALDH1A1KDM4EMAPTKMT2A
SCHEMBL28581979 0.83 NPSR1 (0.53) LMNANPC1RAB9AALDH1A1KDM4E
SCHEMBL28584474 0.83 LMNA (0.55) LMNANPC1RAB9AALDH1A1KDM4E
SCHEMBL4691246 0.82 KDM4E (0.57) LMNAALDH1A1KDM4EMAPTKMT2A

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