SCHEMBL7632484

SCHEMBL7632484

CCCC[C](C)CC(CC)CCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CA2 P00918 4/20 0.47
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 5/20 0.45
TSHR P16473 4/20 0.45
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.36
FDPS P14324 1/20 0.35
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL11669339 0.92 ALDH1A1 (0.48) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL16594962 0.92 ALDH1A1 (0.48) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL4652968 0.89 CA2 (0.55) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL4655227 0.89 ALDH1A1 (0.58) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL8460442 0.88 LMNA (0.48) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL9582376 0.84 ALDH1A1 (0.54) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL8610213 0.83 ALDH1A1 (0.58) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL3029207 0.79 ALDH1A1 (0.58) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL21774119 0.77 ALDH1A1 (0.56) ALDH1A1CA2TDP1CYP3A4TSHR
SCHEMBL11459440 0.77 CA2 (0.55) ALDH1A1CA2TDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492446-B1 COPOLYMER LATEX OBTAINED BY EMULSION POLYMERIZATION OF A MONOMER MIXTURE COMPRISING 15-45 PARTS OF ACRYLONITRILE OR METHACRYLONITRILE, 35-80 PARTS OF A CONJUGATED DIENE AND 0.1-20 PARTS AN UNSATURATED ACID; A FATTY ACID BUBBLE BREAKER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-10 US disclosed
EP-1063258-A2 A latex compound for dip molding and a dip-molded product Takeda Chemical Industries, Ltd. (JP) 2000-12-27 EP disclosed