SCHEMBL16469

SCHEMBL16469

CC(C(=O)O)=C(C#N)CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 1/20 0.33
CYP2C19 P33261 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL20087855 0.85 ALDH1A1 (0.42) ALDH1A1TDP1CA2CYP2C19
SCHEMBL24337069 0.76
SCHEMBL2580161 0.76 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL525227 0.76 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL7038191 0.72 CA2 (0.40) ALDH1A1TDP1CA2
SCHEMBL7038195 0.72 CA2 (0.40) ALDH1A1TDP1CA2
SCHEMBL7548702 0.71 ALDH1A1 (0.41) ALDH1A1TDP1CA2CYP2C19MMP1
SCHEMBL9099330 0.71 ALDH1A1 (0.41) ALDH1A1TDP1CA2CYP2C19MMP1
SCHEMBL670991 0.70 ALDH1A1 (0.50) ALDH1A1TDP1CA2CYP2C19MMP1
SCHEMBL1017646 0.70 ALDH1A1 (0.50) ALDH1A1TDP1CA2CYP2C19MMP1

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
US-8048042-B2 Medical articles incorporating surface capillary fiber MEDTRONIC VASCULAR, INC. (US) 2011-11-01 US disclosed
US-20050021152-A1 Medical articles incorporating surface capillary fiber MEDTRONIC, INC. 2005-01-27 US disclosed
US-20020173770-A1 Adhesive delivery system ST. JUDE MEDICAL, INC. 2002-11-21 US disclosed
EP-1146917-A1 MEDICAL ADHESIVES ST. JUDE MEDICAL, INC. (US) 2001-10-24 EP disclosed
WO-2000043050-A1 MEDICAL ADHESIVES ST. JUDE MEDICAL, INC. (US) 2000-07-27 WO disclosed