SCHEMBL36204

SCHEMBL36204

CCc1ccc(C(=O)OOC(=O)c2ccc(CC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
PLK1 P53350 1/20 0.57
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 3/20 0.52
F2 P00734 1/20 0.52
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
POLB P06746 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ESR1 P03372 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL7637334 0.92 ALDH1A1 (0.55) ALDH1A1PLK1TDP1LMNAF2
SCHEMBL7631078 0.90 ALDH1A1 (0.53) ALDH1A1PLK1TDP1LMNAF2
SCHEMBL7635273 0.88 ALDH1A1 (0.52) ALDH1A1PLK1TDP1LMNAF2
SCHEMBL9073773 0.87 ALDH1A1 (0.55) ALDH1A1PLK1TDP1LMNARXRA
SCHEMBL7633342 0.87 ALDH1A1 (0.55) ALDH1A1PLK1TDP1LMNARXRA
SCHEMBL7628183 0.87 ALDH1A1 (0.50) ALDH1A1PLK1TDP1LMNAF2
SCHEMBL775750 0.86 ALDH1A1 (0.64) ALDH1A1PLK1TDP1LMNARXRA
SCHEMBL7628937 0.85 ALDH1A1 (0.48) ALDH1A1PLK1TDP1LMNAF2
SCHEMBL7629576 0.84 ALDH1A1 (0.52) ALDH1A1PLK1TDP1LMNARXRA
SCHEMBL131711 0.84 LOXL2 (0.70) ALDH1A1PLK1TDP1SMN1; SMN2LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426497-B2 Synthesis of improved binders and modified tacticity EVONIK ROEHM GMBH (DE) 2013-04-23 US claimed
US-20140194585-A1 BULK POLYMERIZATION OF (METH)ACRYLATE COPOLYMERS SOLUBLE UNDER AQUEOUS-ALKALINE CONDITIONS EVONIK ROEHM GMBH (DE) 2014-07-10 US disclosed
US-8426497-B2 Synthesis of improved binders and modified tacticity EVONIK ROEHM GMBH (DE) 2013-04-23 US disclosed
US-20120157613-A1 BULK POLYMERIZATION OF (METH)ACRYLATE COPOLYMERS SOLUBLE UNDER AQUEOUS-ALKALINE CONDITIONS EVONIK ROEHM GMBH (DE) 2012-06-21 US disclosed
US-20110269898-A1 METHOD FOR SYNTHESIZING IMPROVED BINDERS HAVING A DEFINED GRAIN SIZE DISTRIBUTION EVONIK ROEHM GMBH (DE) 2011-11-03 US disclosed
US-20100298466-A1 SYNTHESIS OF IMPROVED BINDERS AND MODIFIED TACTICITY EVONIK ROEHM GMBH (DE) 2010-11-25 US disclosed
US-6264865-B1 Silicone rubber base compound for electrical wire coating, silicone composition for electrical wire coating, and process for the production of silicone rubber coated electrical wire DOW CORNING TORAY SILICONE COMPANY, LTD. (JP) 2001-07-24 US disclosed