SCHEMBL3949798

SCHEMBL3949798

C=CSC=C.CC(C)(C)c1cc(CC(=O)O)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CC(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.47
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 4/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 3/20 0.46
MAPT P10636 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
BLM P54132 2/20 0.46
ATM Q13315 2/20 0.46
HIF1A Q16665 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
USP2 O75604 1/20 0.46
CYP2D6 P10635 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
LMNA P02545 3/20 0.42
GABBR2 O75899 2/20 0.41
GABBR1 Q9UBS5 2/20 0.41
ALOX15 P16050 2/20 0.41

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
Ethylene SCHEMBL3949822 0.87 ALDH1A1 (0.50) GAAKMT2AALDH1A1MEN1TSHR
Ethylene SCHEMBL3947796 0.87 ALDH1A1 (0.50) GAAKMT2AALDH1A1MEN1TSHR
SCHEMBL38555 0.87 ALDH1A1 (0.53) GAAKMT2AALDH1A1MEN1TSHR
Ammonia Solution, Strong SCHEMBL3948778 0.85 ALDH1A1 (0.52) GAAKMT2AALDH1A1MEN1TSHR
SCHEMBL31230461 0.85 GAA (0.54) GAAKMT2AALDH1A1MEN1TSHR
SCHEMBL431482 0.85 GAA (0.54) GAAKMT2AALDH1A1MEN1TSHR
Ethylene Glycol SCHEMBL206250 0.82 ALDH1A1 (0.51) GAAKMT2AALDH1A1MEN1TSHR
SCHEMBL27913587 0.80 ALDH1A1 (0.46) GAAKMT2AALDH1A1MEN1TSHR
SCHEMBL3956058 0.80 ALDH1A1 (0.53) GAAKMT2AALDH1A1MEN1TSHR
SCHEMBL11462424 0.79 MEN1 (0.41) GAAKMT2AALDH1A1MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035470-A1 THERMOPLASTIC RESIN COMPOSITIONS SUITABLE FOR USE IN TRANSPARENT LAMINATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-18 EP disclosed
WO-2007149082-A1 THERMOPLASTIC RESIN COMPOSITIONS SUITABLE FOR USE IN TRANSPARENT LAMINATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-12-27 WO disclosed
US-20070289693-A1 Thermoplastic resin compositions suitable for use in transparent laminates E. I. DU PONT DE NEMOURS AND COMPANY 2007-12-20 US disclosed