SCHEMBL1769079

SCHEMBL1769079

CC(CC(CCC(=O)O)CC(=O)O)CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
CYP1A2 P05177 1/20 0.38
CACNA2D1 P54289 2/20 0.38
CACNB3 P54284 1/20 0.38
CACNA1C Q13936 1/20 0.38

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
SCHEMBL3832191 0.81 CACNA2D1 (0.61) CYP1A2CACNA2D1CACNB3CACNA1CPGR
SCHEMBL277812 0.79 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27985208 0.76 MAPT (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9808871 0.76 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL143938 0.75 SLC22A6 (0.38) CYP1A2CACNA2D1CACNB3CACNA1CPGR
SCHEMBL1067868 0.74 BHMT (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22396502 0.73 BHMT (0.36) CYP1A2CACNA2D1CACNB3CACNA1CPGR
SCHEMBL21315733 0.73 BHMT (0.36) CYP1A2CACNA2D1CACNB3CACNA1CPGR
Ammonia Solution, Strong SCHEMBL22134457 0.73 TDP1 (0.40) CYP1A2CACNA2D1CACNB3CACNA1CPGR
Hydrochloric Acid SCHEMBL7940858 0.73 BHMT (0.36) CYP1A2CACNA2D1CACNB3CACNA1CPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013096373-A1 ALIPHATIC-AROMATIC COPOLYETHERESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-06-27 WO disclosed
US-20130158168-A1 ALIPHATIC-AROMATIC COPOLYETHERESTERS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-20 US disclosed
US-20130158196-A1 ALIPHATIC-AROMATIC COPOLYETHERESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-06-20 US disclosed
US-8409677-B2 Biodegradable starch-containing blend E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-02 US disclosed
US-20110207859-A1 COPOLYESTERS WITH ENHANCED TEAR STRENGTH E.I.DU PONT DE NEMOURS AND COMPANY (US) 2011-08-25 US disclosed
WO-2011091130-A1 BIODEGRADABLE STARCH-CONTAINING BLEND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-28 WO disclosed
US-20110177275-A1 BIODEGRADABLE STARCH-CONTAINING BLEND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-21 US disclosed
WO-2011062600-A1 POLYCONDENSATION WITH A KNEADER REACTOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-26 WO disclosed
WO-2010075023-A1 COPOLYESTERS WITH ENHANCED TEAR STRENGTH E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-01 WO disclosed