SCHEMBL466771

SCHEMBL466771

CC(CCc1ccccc1C(=O)O)CC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.50
TSHR P16473 1/20 0.40
SLC16A3 O15427 3/20 0.39
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
CLCN2 P51788 1/20 0.37
MAPT P10636 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
HMGB1 P09429 1/20 0.36

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
SCHEMBL5513397 0.87 FOLH1 (0.43) FOLH1ALOX15CLCN2HMGB1
SCHEMBL6056995 0.85 HMGB1 (0.38) FOLH1ALDH1A1CYP2C9HIF1AHMGB1
SCHEMBL6057622 0.83 EGFR (0.36) ALDH1A1
SCHEMBL29647810 0.83 FOLH1 (0.54) FOLH1TSHRSLC16A3ALDH1A1ALOX15
SCHEMBL442094 0.80 FOLH1 (0.59) FOLH1TSHRSLC16A3ALDH1A1ALOX15
SCHEMBL6024546 0.80 ALDH1A1 (0.41) ALDH1A1ALOX15KMT2AMAPTCYP2C9
SCHEMBL10950508 0.80 ALDH1A1 (0.34) ALDH1A1ALOX15
SCHEMBL28396145 0.79 FOLH1 (0.58) FOLH1TSHRSLC16A3ALDH1A1ALOX15
SCHEMBL3381062 0.79 FOLH1 (0.50) FOLH1TSHRSLC16A3ALDH1A1ALOX15
SCHEMBL339041 0.79 FOLH1 (0.54) FOLH1TSHRSLC16A3ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1354867-B1 Benzoic acid isononyl esters and their use EVONIK DEGUSSA GMBH (DE) 2015-04-01 EP disclosed
EP-2404962-B1 Softener preparations with good gelling characteristics LANXESS DEUTSCHLAND GMBH (DE) 2013-01-16 EP disclosed
EP-2404962-A1 Softener preparations with good gelling characteristics LANXESS Deutschland GmbH (DE) 2012-01-11 EP disclosed
EP-2404961-A1 Softener preparations with good gelling characteristics LANXESS Deutschland GmbH (DE) 2012-01-11 EP disclosed
EP-1664177-B1 USE OF ISONONYL BENZOATE AS A FILM-FORMING AGENT OXENO OLEFINCHEMIE GMBH (DE) 2007-06-13 EP disclosed
EP-1664177-A1 USE OF ISONONYL BENZOATE AS A FILM-FORMING AGENT Oxeno Olefinchemie GmbH (DE) 2006-06-07 EP disclosed
WO-2005026249-A1 USE OF ISONONYL BENZOATE AS A FILM-FORMING AGENT OXENO OLEFINCHEMIE GMBH (DE) 2005-03-24 WO disclosed
EP-1354867-A2 Benzoic acid isononyl esters and their use Oxeno Olefinchemie GmbH (DE) 2003-10-22 EP disclosed