SCHEMBL1823949

SCHEMBL1823949

CC(C)(Cc1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.55
SLC6A2 P23975 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.47
RIPK1 Q13546 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A3 Q01959 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
CACNA1F O60840 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
OPRK1 P41145 1/20 0.37
CACNA1D Q01668 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
SCHEMBL13765633 0.79 TRPA1 (0.61) TRPA1SLC6A2TAAR1LMNACYP2D6
SCHEMBL9493203 0.77 LMNA (0.43) SLC6A2TAAR1LMNARIPK1SLC6A3
SCHEMBL22614877 0.77 TRPA1 (0.70) TRPA1SLC6A2TAAR1LMNACYP2D6
SCHEMBL9427268 0.77 TRPA1 (0.64) TRPA1SLC6A2TAAR1LMNACYP2D6
SCHEMBL18954159 0.76 TRPA1 (0.53) TRPA1SLC6A2TAAR1LMNACYP2D6
SCHEMBL8634300 0.76 RIPK1 (0.44) TRPA1SLC6A2LMNARIPK1SLC6A3
Ammonia Solution, Strong SCHEMBL28248128 0.76 TRPA1 (0.62) TRPA1SLC6A2TAAR1LMNACYP2D6
SCHEMBL4329684 0.76 RIPK1 (0.41) SLC6A2TAAR1LMNARIPK1SLC6A3
SCHEMBL8608404 0.76 RIPK1 (0.41) TRPA1SLC6A2TAAR1LMNARIPK1
SCHEMBL8860874 0.74 RIPK1 (0.44) SLC6A2TAAR1LMNACYP2D6RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150576-B1 STABILIZATION OF POLYMERS WITH STYRENATED-P-CRESOLS CHEMTURA CORP (US) 2011-05-04 EP disclosed
EP-2150576-A1 STABILIZATION OF POLYMERS WITH STYRENATED-P-CRESOLS CHEMTURA CORPORATION (US) 2010-02-10 EP disclosed
WO-2008144086-A1 STABILIZATION OF POLYMERS WITH STYRENATED-P-CRESOLS CHEMTURA CORPORATION (US) 2008-11-27 WO disclosed