SCHEMBL3060235

SCHEMBL3060235

Cc1cc(C)c(C(C)C)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.46
SELP P16109 1/20 0.46
SELE P16581 1/20 0.46
ACHE P22303 1/20 0.46
TRPA1 O75762 3/20 0.45
LMNA P02545 3/20 0.45
SLC6A2 P23975 2/20 0.45
CHRM1 P11229 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR2B P41595 1/20 0.45
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BCL2L2 Q92843 1/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS1 P23219 1/20 0.40
CACNA1C Q13936 1/20 0.40
AHR P35869 1/20 0.38
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL1494319 0.87 SELL (0.52) SELLSELPSELEACHETRPA1
SCHEMBL27864186 0.85 SELL (0.50) SELLSELPSELEACHETRPA1
Hydrogen Peroxide SCHEMBL10882706 0.82 LDHA (0.39) SELLSELPSELEACHETRPA1
SCHEMBL5163137 0.82 RAPGEF4 (0.41) TRPA1LMNASLC6A2CHRM1ADRA1A
SCHEMBL16010550 0.81 CYP3A4 (0.43) ACHETRPA1LMNASLC6A2CHRM1
SCHEMBL29427938 0.81 CYP3A4 (0.43) ACHETRPA1LMNASLC6A2CHRM1
SCHEMBL1487378 0.79 PTGS1 (0.54) TRPA1LMNASLC6A2CHRM1ADRA1A
SCHEMBL7033501 0.79 LMNA (0.45) SELLSELPSELEACHETRPA1
SCHEMBL1487428 0.79 LMNA (0.54) SELLSELPSELEACHETRPA1
SCHEMBL3602314 0.78 PTGS1 (0.48) SELLSELPSELEACHETRPA1

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
US-7770534-B2 Changed condition indicator THERMOPROX 2010-08-10 US disclosed
US-20070151502-A1 Changed condition indicator THERMOPROX 2007-07-05 US disclosed
US-4013473-A THERMOGRAPHY, SUBSTITUTED PHENOL REDUCING AGENT AGFA-GEVAERT N.V. (BE) 1977-03-22 US disclosed