SCHEMBL9245372

SCHEMBL9245372

CCC(C)(C)C1CC2C=CC1C2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HIF1A Q16665 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
PTGS2 P35354 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL6382740 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EUSP2TDP1LMNA
SCHEMBL21626124 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EUSP2TDP1LMNA
SCHEMBL24421432 0.78 ALDH1A1 (0.35) ALDH1A1KDM4EUSP2TDP1LMNA
SCHEMBL18713297 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EUSP2TDP1LMNA
SCHEMBL122649 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EUSP2TDP1LMNA
SCHEMBL4602458 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EUSP2TDP1LMNA
SCHEMBL13259999 0.73 ALDH1A1 (0.36) ALDH1A1KDM4EUSP2TDP1LMNA
SCHEMBL11959234 0.73 ALDH1A1 (0.36) ALDH1A1KDM4EUSP2TDP1LMNA
SCHEMBL12215183 0.71 USP2 (0.32) ALDH1A1USP2TDP1
SCHEMBL7101234 0.71 ALDH1A1 (0.37) ALDH1A1KDM4EUSP2TDP1LMNA

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
CN-1044001-C Accelerator compositions and rubber compounding composition embodying same STAMICARBON (NL) 1999-07-07 CN disclosed
EP-0429114-B1 Accelerator compositions and rubber compounding composition embodying the same DSM NV (NL) 1995-08-09 EP disclosed
US-5354793-A Promoting mixture of dithioimorpholine, a bismuth dithiocarbamate, sulfur and 2-benzothiazyl disulfide; molding materials; iridescent sheen-free; automobile parts DSM COPOLYMER, INC. (US) 1994-10-11 US disclosed
US-5075028-A 2-benzothiazyl disulfide, dithiomorpholine, and bismuth dimeth yldithiocarbamate COPOLYMER RUBBER & CHEMICAL CORP. (US) 1991-12-24 US disclosed
EP-0429114-A1 Accelerator compositions and rubber compounding composition embodying the same DSM N.V. (NL) 1991-05-29 EP disclosed