SCHEMBL28537428

SCHEMBL28537428

OC(Cc1ccccc1)CC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.44
CPA1 P15085 1/20 0.43
CYP1A2 P05177 1/20 0.42
PPARG P37231 3/20 0.41
PPARA Q07869 2/20 0.41
EPHX1 P07099 1/20 0.41
SRR Q9GZT4 2/20 0.40
CES1 P23141 1/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
ALPL P05186 1/20 0.39
POLB P06746 1/20 0.39
ALPG P10696 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL25160168 0.80 GRIN2D (0.38) CYP1A2PPARGPPARATAAR1
SCHEMBL5105980 0.80 TRPA1 (0.52) TRPA1CYP1A2EPHX1SRRALPI
SCHEMBL1833635 0.79 TRPA1 (0.55) TRPA1CYP1A2EPHX1SRRALPI
SCHEMBL5704601 0.77 CSNK1E (0.51) TRPA1EPHX1ALPIPKMPTGS1
Ammonia Solution, Strong SCHEMBL29021310 0.77 TRPA1 (0.53) TRPA1CYP1A2EPHX1SRRALPI
SCHEMBL2479860 0.76 TRPA1 (0.61) TRPA1CYP1A2EPHX1ALPLPOLB
SCHEMBL108351 0.76 TRPA1 (0.61) TRPA1CYP1A2EPHX1ALPLPOLB
SCHEMBL2480531 0.76 TRPA1 (0.61) TRPA1CYP1A2EPHX1ALPLPOLB
SCHEMBL5001983 0.76 TRPA1 (0.48) TRPA1CYP1A2EPHX1SRRALPI
SCHEMBL23624021 0.75 EPHX1 (0.41) TRPA1CPA1CYP1A2EPHX1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112500517-A Oil-soluble super-heavy oil viscosity reducer and preparation method and application thereof 山东德仕化工有限公司 2021-03-16 CN disclosed