SCHEMBL4691022

SCHEMBL4691022

COc1ccccc1C=C(NC(=O)C1CCCCC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 6/20 0.49
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX12 P18054 1/20 0.45
MEN1 O00255 4/20 0.43
PLIN1 O60240 1/20 0.43
POLB P06746 1/20 0.43
PLIN5 Q00G26 1/20 0.43
ABHD5 Q8WTS1 1/20 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
SCHEMBL4691019 1.00 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AHPGDLMNAKDM4E
SCHEMBL4688113 0.99 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AHPGDLMNAKDM4E
SCHEMBL4688110 0.99 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AHPGDLMNAKDM4E
SCHEMBL4687282 0.90 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AHPGDLMNAMAPT
SCHEMBL4687279 0.90 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AHPGDLMNAMAPT
SCHEMBL4687943 0.89 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AHPGDLMNAKDM4E
SCHEMBL4687945 0.89 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AHPGDLMNAKDM4E
SCHEMBL4690923 0.85 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AHPGDKDM4EPKM
SCHEMBL18642110 0.79 HPGD (0.51) SMN1; SMN2KMT2AHPGDLMNAKDM4E
SCHEMBL18642109 0.79 HPGD (0.51) 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