SCHEMBL2140233

SCHEMBL2140233

Cc1cc(C(C)C(=O)O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
CA2 P00918 3/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
TYR P14679 1/20 0.55
HSPA5 P11021 1/20 0.46
CYP2C9 P11712 4/20 0.45
CYP2C19 P33261 4/20 0.45
HIF1A Q16665 2/20 0.45
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
CYP2D6 P10635 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA1 P00915 2/20 0.38
CYP1A2 P05177 2/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
CYP3A4 P08684 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
SCHEMBL29613277 1.00 SMN1; SMN2 (0.55) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL7720160 0.83 CYP3A4 (0.54) SMN1; SMN2CA2ALDH1A1POLBTYR
Methane SCHEMBL8854369 0.82 CYP3A4 (0.52) SMN1; SMN2CA2ALDH1A1POLBTYR
Hydrazine SCHEMBL28202215 0.81 CYP3A4 (0.51) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL29463589 0.80 SMN1; SMN2 (0.65) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL56222 0.80 CA2 (0.65) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL225440 0.80 SMN1; SMN2 (0.65) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL30467046 0.80 CA2 (0.65) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL7794952 0.80 ALDH1A1 (0.50) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL11330818 0.79 SMN1; SMN2 (0.63) SMN1; SMN2CA2ALDH1A1POLBTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101248128-B Coordination polymeric triethanolamine perchloric acid (triflato) metal inner complexes as additives for synthetic polymers CATENA ADDITIVES GMBH & CO KG 2012-05-09 CN disclosed
US-7906566-B2 Curable liquid resin composition DSM IP ASSETS B.V. (NL) 2011-03-15 US disclosed
CN-101248128-A Coordination polymeric triethanolamine perchloric acid (triflato) metal inner complexes as additives for synthetic polymers CATENA ADDITIVES GMBH & CO KG (DE) 2008-08-20 CN disclosed
US-20070203258-A1 Curable Liquid Resin Composition COVESTRO (NETHERLANDS) B.V. (NL) 2007-08-30 US disclosed