SCHEMBL4688113

SCHEMBL4688113

COc1ccccc1C=C(NC(=O)C1CCCC1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 5/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 3/20 0.44
MAPT P10636 2/20 0.44
PLIN1 O60240 1/20 0.44
POLB P06746 1/20 0.44
PLIN5 Q00G26 1/20 0.44
ABHD5 Q8WTS1 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ALOX12 P18054 1/20 0.43
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
NFE2L2 Q16236 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
SCHEMBL4688110 1.00 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AHPGDLMNAKDM4E
SCHEMBL4691022 0.99 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AHPGDLMNAKDM4E
SCHEMBL4691019 0.99 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AHPGDLMNAKDM4E
SCHEMBL4687945 0.90 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AHPGDLMNAKDM4E
SCHEMBL4687943 0.90 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AHPGDLMNAKDM4E
SCHEMBL4687279 0.89 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AHPGDLMNAMEN1
SCHEMBL4687282 0.89 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AHPGDLMNAMEN1
SCHEMBL4690923 0.84 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AHPGDKDM4EPKM
SCHEMBL4688338 0.78 LMNA (0.52) SMN1; SMN2KMT2AHPGDLMNAKDM4E
SCHEMBL4688334 0.78 LMNA (0.52) SMN1; SMN2KMT2AHPGDLMNAKDM4E

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