SCHEMBL11044685

SCHEMBL11044685

CC(C)C(c1ccccc1)(c1ccccc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
KCNN4 O15554 4/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALOX15 P16050 1/20 0.39
RIPK1 Q13546 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 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
Bicarbonate SCHEMBL27539068 0.90 CYP2D6 (0.55) CYP2D6CYP1A2KCNN4ALDH1A1CYP2C19
SCHEMBL29757327 0.85 CYP2D6 (0.45) CYP2D6CYP1A2KCNN4MAPK1ALDH1A1
SCHEMBL11741321 0.80 CYP2D6 (0.45) CYP2D6CYP1A2KCNN4MAPK1ALDH1A1
SCHEMBL13248640 0.79 CYP2D6 (0.46) CYP2D6CYP1A2KCNN4MAPK1ALDH1A1
SCHEMBL28761512 0.78 ALDH1A1 (0.48) CYP2D6CYP1A2ALDH1A1TSHRCYP2C19
SCHEMBL10397568 0.78 CRHBP (0.42) CYP2D6CYP1A2KCNN4MAPK1ALDH1A1
SCHEMBL3079554 0.77 CYP2D6 (0.46) CYP2D6CYP1A2KCNN4MAPK1ALDH1A1
SCHEMBL22402881 0.77 CYP2D6 (0.46) CYP2D6CYP1A2KCNN4MAPK1ALDH1A1
SCHEMBL3660630 0.74 TAAR1 (0.48) CYP2D6CYP1A2KCNN4MAPK1ALDH1A1
SCHEMBL575235 0.74 MAPK1 (0.46) CYP2D6CYP1A2KCNN4MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131965-A1 METHODS OF PREPARING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF USING SAME Valspar Sourcing, Inc. (US) 2017-02-22 EP disclosed
WO-2015160788-A1 METHODS OF PREPARING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF USING SAME VALSPAR SOURCING, INC. (US) 2015-10-22 WO disclosed
EP-2882658-A1 CONTAINER COATING SYSTEM Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2882401-A1 DENTAL MATERIALS AND METHOD OF MANUFACTURE Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2883113-A1 DEVELOPER FOR THERMALLY RESPONSIVE RECORD MATERIALS Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2882818-A1 STABILIZER AND COATING COMPOSITIONS THEREOF Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2882792-A1 POLYCARBONATES Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
WO-2014025410-A1 STABILIZER AND COATING COMPOSITIONS THEREOF VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
WO-2014025411-A1 CONTAINER COATING SYSTEM VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
WO-2014025407-A1 POLYCARBONATES VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
WO-2014025406-A1 DENTAL MATERIALS AND METHOD OF MANUFACTURE VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
WO-2014025400-A1 DEVELOPER FOR THERMALLY RESPONSIVE RECORD MATERIALS VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
CN-1041034-C Heat-resistant adhesive HITACHI CHEMICAL CO LTD (JP) 1998-12-02 CN disclosed
CN-1048619-A The manufacture method of direct effect grand master pattern/pressing mold that light shows DU PONT (US) 1991-01-16 CN disclosed
EP-0115293-A2 Process for the preparation of shaped articles on the basis of polyurethane elastomers by the use of diols of the anhydro-tetritol series BAYER AG (DE) 1984-08-08 EP disclosed