SCHEMBL4658904

SCHEMBL4658904

Cc1cc(C(C)c2cc(C)cc(C(C)(C)C)c2[O])c([O])c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CA2 P00918 1/20 0.45
POLB P06746 1/20 0.45
TYR P14679 1/20 0.45
HSPA5 P11021 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ATP2A2 P16615 1/20 0.30
ATP2A3 Q93084 1/20 0.30

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
SCHEMBL2864119 0.81 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL4351373 0.80 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL434782 0.79 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL8512816 0.79 CYP1A2 (0.39) SMN1; SMN2ALDH1A1POLBCYP2C9CYP2C19
SCHEMBL4345812 0.79 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL4390427 0.79 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL29463589 0.78 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL225440 0.78 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL4388462 0.77 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL4401169 0.74 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1CA2POLBTYR

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
EP-1254922-B1 Polyalkoxyalkyl (meth)acrylates and preparation thereof TERUMO CORP (JP) 2008-12-17 EP disclosed
US-6737493-B2 ANIONIC POLYMERIZED POLYALKOXYALKYL (METH)ACRYLATE, SUCH AS POLYMETHOXYETHYL ACRYLATE; MADE USING AN ARYLOXYALUMINUM COMPOUND AS CATALYST; USE SUCH AS ARTIFICIAL BODY PARTS, CATHETERS TERUMO KABUSHIKI KAISHA (JP) 2004-05-18 US disclosed
US-20020183472-A1 Biocompatible material TERUMO KABUSHIKI KAISHA (JP) 2002-12-05 US disclosed
EP-1254922-A2 Polyalkoxyalkyl (meth)acrylates and preparation thereof TERUMO KABUSHIKI KAISHA (JP) 2002-11-06 EP disclosed