SCHEMBL12397170

SCHEMBL12397170

CCc1cc(C)cc(N=C=O)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
TSHR P16473 1/20 0.39
TRPA1 O75762 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL11232214 0.88 CYP3A4 (0.45) CYP3A4TSHRTRPA1GABRA1GABRB2
SCHEMBL11231068 0.88 CYP3A4 (0.45) CYP3A4TSHRTRPA1GABRA1GABRB2
SCHEMBL59852 0.81 CYP3A4 (0.48) CYP3A4TSHRTRPA1GABRA1GABRB2
SCHEMBL109084 0.81 CYP3A4 (0.48) CYP3A4TSHRTRPA1GABRA1GABRB2
Benzene SCHEMBL28982643 0.77 CYP3A4 (0.45) CYP3A4TSHRTRPA1GABRA1GABRB2
SCHEMBL7002811 0.75 CYP3A4 (0.44) CYP3A4TSHRTRPA1CYP1A2MAPK1
SCHEMBL22572895 0.75 CYP3A4 (0.35) CYP3A4TSHRTRPA1GABRA1GABRB2
SCHEMBL11097683 0.74 CYP3A4 (0.71) CYP3A4TSHRTRPA1GABRA1GABRB2
SCHEMBL58461 0.73 GABRA1 (0.50) CYP3A4TSHRTRPA1GABRA1GABRB2
SCHEMBL22080193 0.73 CYP3A4 (0.44) CYP3A4TSHRTRPA1GABRA1GABRB2

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
US-8946133-B2 Method and composition for curing lost circulation SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2015-02-03 US disclosed
US-20110183871-A1 Method and composition for curing lost circulation SCHLUMBERGER TECHNOLOGY CORPORATION 2011-07-28 US disclosed