SCHEMBL4687943

SCHEMBL4687943

COC(=O)/C(=C\c1ccccc1OC)NC(=O)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 5/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
PLIN1 O60240 1/20 0.47
POLB P06746 1/20 0.47
PLIN5 Q00G26 1/20 0.47
ABHD5 Q8WTS1 1/20 0.47
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
ABCB1 P08183 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL4687945 1.00 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AHPGDMEN1MAPT
SCHEMBL4687282 0.99 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AHPGDMEN1MAPT
SCHEMBL4687279 0.99 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AHPGDMEN1MAPT
SCHEMBL4688113 0.90 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AHPGDMEN1MAPT
SCHEMBL4688110 0.90 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AHPGDMEN1MAPT
SCHEMBL4691022 0.89 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AHPGDMEN1MAPT
SCHEMBL4691019 0.89 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AHPGDMEN1MAPT
SCHEMBL4690923 0.84 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AHPGDMEN1ALDH1A1
SCHEMBL27533555 0.80 KDM4E (0.54) KMT2AHPGDMEN1MAPTLMNA
SCHEMBL4688681 0.76 LMNA (0.54) SMN1; SMN2KMT2AHPGDMEN1MAPT

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