SCHEMBL2474153

SCHEMBL2474153

Cc1cc(C(CC(=O)OCCO)c2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
VCAM1 P19320 9/20 0.36
CACNA1A O00555 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNB1 Q02641 1/20 0.36
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
GPR55 Q9Y2T6 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
CYP2D6 P10635 1/20 0.32
GSR P00390 1/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2354392 0.93 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19VCAM1CACNA1A
SCHEMBL3683439 0.85 VCAM1 (0.39) VCAM1CACNA1ACACNA2D1CACNB1GLRA3
SCHEMBL517944 0.82 VCAM1 (0.44) VCAM1CACNA1ACACNA2D1CACNB1GLRA3
SCHEMBL462694 0.81 CYP2C9 (0.49) CYP1A2CYP2C9CYP2C19CACNA1ACACNA2D1
SCHEMBL6229714 0.76 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19VCAM1GLRA3
Triethylene Glycol SCHEMBL379325 0.76 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19VCAM1CACNA1A
Triethylene Glycol SCHEMBL10455917 0.76 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19VCAM1CACNA1A
SCHEMBL14244984 0.76 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19VCAM1CACNA1A
SCHEMBL11327008 0.76 CYP2C9 (0.53) CYP1A2CYP2C9CYP2C19GLRA3GLRB
SCHEMBL7796538 0.75 GAA (0.47) CYP1A2CYP2C9CYP2C19VCAM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4314141-A1 STABILIZER MIXTURE BASF SE (DE) 2024-02-07 EP claimed
US-11091605-B2 Polyamide moulding composition, in particular for the production of mouldings in the drinking water sector EMS-PATENT AG (CH) 2021-08-17 US claimed
EP-1115797-B1 PHOTOPOLYMERIZABLE ACRYLIC LACQUER COMPOSITIONS BASF COATINGS AG (DE) 2009-07-01 EP claimed
US-10202521-B2 Dish support rack for dishwasher RHODIA OPERATIONS (FR) 2019-02-12 US disclosed
US-20170073544-A1 DISH SUPPORT RACK FOR DISHWASHER PERFORMANCE POLYAMIDES, SAS (FR) 2017-03-16 US disclosed
EP-2791260-A2 STRAY LIGHT RESISTANT UV INKJET INKS Sun Chemical Corporation (US) 2014-10-22 EP disclosed
WO-2013090530-A2 STRAY LIGHT RESISTANCE OF UV INKJET INKS SUN CHEMICAL CORPORATION (US) 2013-06-20 WO disclosed
EP-2373698-A1 ANTIFOULANT FOR IMPACT COPOLYMERS AND METHOD Dow Global Technologies LLC (US) 2011-10-12 EP disclosed
WO-2010075349-A1 ANTIFOULANT FOR IMPACT COPOLYMERS AND METHOD DOW GLOBAL TECHNOLOGIES, INC. (US) 2010-07-01 WO disclosed