SCHEMBL8032072

SCHEMBL8032072

O=C(O)CCCCC(=O)n1ccnc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.57
TDP1 Q9NUW8 1/20 0.54
EGLN3 Q9H6Z9 1/20 0.50
ALDH1A1 P00352 1/20 0.44
LMNA P02545 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
SCHEMBL20622958 0.90 TBXAS1 (0.49) TBXAS1TDP1EGLN3ALDH1A1
SCHEMBL26206833 0.90 TBXAS1 (0.49) TBXAS1TDP1EGLN3ALDH1A1
SCHEMBL20623229 0.90 TBXAS1 (0.49) TBXAS1TDP1EGLN3ALDH1A1
SCHEMBL10997783 0.89 EGLN3 (0.53) TBXAS1TDP1EGLN3ALDH1A1
SCHEMBL22117141 0.88 EGLN3 (0.42) TBXAS1TDP1EGLN3ALDH1A1
SCHEMBL11463256 0.84 EGLN3 (0.45) TBXAS1TDP1EGLN3ALDH1A1
SCHEMBL11598612 0.84 TBXAS1 (0.40) TBXAS1TDP1EGLN3ALDH1A1
SCHEMBL4780723 0.84 TBXAS1 (0.40) TBXAS1TDP1EGLN3ALDH1A1
SCHEMBL5966061 0.84 TBXAS1 (0.44) TBXAS1TDP1
SCHEMBL5580017 0.82 TBXAS1 (0.47) TBXAS1TDP1ALDH1A1

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
EP-0992513-A2 Isolated metallopeptide: compositions and synthetic methods THE SCRIPPS RESEARCH INSTITUTE (US) 2000-04-12 EP disclosed
EP-0552284-B1 ISOLATED METALLOPOLYPEPTIDE: COMPOSITIONS AND SYNTHETIC METHODS SCRIPPS RESEARCH INST (US) 2000-03-29 EP disclosed
US-5408036-A A polyvalent ion covalently linked to 2 to 8 polypeptide binding ligands, each of which covalently bonded to a linear polypeptide THE SCRIPPS RESEARCH INSTITUTE (US) 1995-04-18 US disclosed
WO-1992006110-A1 ISOLATED METALLOPOLYPEPTIDE: COMPOSITIONS AND SYNTHETIC METHODS THE SCRIPPS RESEARCH INSTITUTE (US) 1992-04-16 WO disclosed