SCHEMBL27799072

SCHEMBL27799072

CC(C)C(C)(Cc1ccccc1)OO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.50
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
KCNH2 Q12809 2/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
MRGPRX2 Q96LB1 1/20 0.40
CHRM3 P20309 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 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
SCHEMBL9049038 0.79 TRPA1 (0.45) TRPA1LMNACYP2D6SLC6A2TAAR1
SCHEMBL8025855 0.75 LMNA (0.54) TRPA1LMNACYP2D6SLC6A2TAAR1
SCHEMBL25043590 0.74 TRPA1 (0.55) TRPA1LMNACYP2D6SLC6A2TAAR1
SCHEMBL27904858 0.74 LMNA (0.52) TRPA1LMNACYP2D6SLC6A2TAAR1
SCHEMBL7376613 0.73 TAAR1 (0.54) TRPA1LMNACYP2D6SLC6A2TAAR1
SCHEMBL9427268 0.73 TRPA1 (0.64) TRPA1LMNACYP2D6SLC6A2TAAR1
Ammonia Solution, Strong SCHEMBL27822678 0.72 TRPA1 (0.53) TRPA1LMNACYP2D6SLC6A2TAAR1
SCHEMBL26448631 0.72 TRPA1 (0.48) TRPA1LMNACYP2D6SLC6A2TAAR1
Ammonia Solution, Strong SCHEMBL28248128 0.71 TRPA1 (0.62) TRPA1LMNACYP2D6SLC6A2TAAR1
SCHEMBL4445459 0.71 TRPA1 (0.52) TRPA1LMNACYP2D6SLC6A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679232-B Free radical initiator system and high pressure, free radical polymerization process for producing low density polyethylene polymer DOW GLOBAL TECHNOLOGIES INC 2014-02-12 CN disclosed
CN-101679232-A A free radical initiator system and a high pressure, freeradical polymerization process for producing a low density polyethylene polymer DOW GLOBAL TECHNOLOGIES INC 2010-03-24 CN disclosed