SCHEMBL4795083

SCHEMBL4795083

CCCCCNC(C)CCCCC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH4 P08319 1/20 0.48
ADH7 P40394 1/20 0.48
OPRM1 P35372 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
ADRB2 P07550 8/20 0.43
EPHX1 P07099 3/20 0.40
TP53 P04637 1/20 0.40
SPHK1 Q9NYA1 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL18991518 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5011942 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL16450785 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL14230240 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13762880 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL24104636 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9209441 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9205673 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL18546867 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9656669 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996179-A2 COMPOSITIONS FOR DISORDERS ASSOCIATED WITH METACHROMATIC CELL ACTIVATION Valorisation-Recherche, Limited Partnership (CA) 2008-12-03 EP disclosed
WO-2007096782-A2 COMPOSITIONS FOR DISORDERS ASSOCIATED WTTH METACHROMATIC CELL ACTIVATION VALORISATION RECHERCHE HSCM, LIMITED PARTNERSHIP (CA) 2007-08-30 WO disclosed
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed