SCHEMBL3751631

SCHEMBL3751631

NC(=O)CCCCC(=O)N1CCCCCC1.NC(=O)CCCCC(=O)N1Cc2cccc(c2)C1.NC(=O)c1ccc(C(=O)N2CCCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.44
ALDH1A1 P00352 4/20 0.44
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
DPP4 P27487 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2 P00734 1/20 0.40
LMNA P02545 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL8848524 0.91 HPGD (0.45) HPGDALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL729295 0.89 HPGD (0.49) HPGDALDH1A1ITGB3ITGA2BDPP4
SCHEMBL538956 0.88 HPGD (0.57) HPGDALDH1A1ITGB3ITGA2BDPP4
SCHEMBL1160326 0.88 HPGD (0.57) HPGDALDH1A1ITGB3ITGA2BDPP4
SCHEMBL1160041 0.88 HPGD (0.57) HPGDALDH1A1ITGB3ITGA2BDPP4
SCHEMBL1193530 0.88 HPGD (0.57) HPGDALDH1A1ITGB3ITGA2BDPP4
SCHEMBL538630 0.87 HPGD (0.48) HPGDALDH1A1ITGB3ITGA2BDPP4
SCHEMBL729559 0.87 HPGD (0.56) HPGDALDH1A1ITGB3ITGA2BF2
SCHEMBL3684259 0.87 HPGD (0.56) HPGDALDH1A1ITGB3ITGA2BF2
SCHEMBL531520 0.87 HPGD (0.56) HPGDALDH1A1ITGB3ITGA2BF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198355-B2 Nanocomposite compositions of polyamides and sepiolite-type clays E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-12 US claimed
US-20100324195-A1 Nanocomposite compositions of polyamides and Sepiolite-type clays E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-23 US claimed
US-20090142585-A1 Nanocomposite compositions of polyamides, sepiolite-type clays and copper species and articles thereof E. I. DU PONT DE NEMOURS AND COMPANY 2009-06-04 US claimed
WO-2009061989-A2 NANOCOMPOSITE COMPOSITIONS OF POLYAMIDES, SEPIOLITE-TYPE CLAYS AND COPPER SPECIES AND ARTICLES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-14 WO claimed