SCHEMBL4344985

SCHEMBL4344985

COCC(Cc1ccccc1)OC(COC)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
SIGMAR1 Q99720 5/20 0.43
TAAR1 Q96RJ0 4/20 0.43
SLC6A2 P23975 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
EPHX1 P07099 1/20 0.41
SLC18A2 Q05940 1/20 0.41
CYP2D6 P10635 1/20 0.41
LAP3 P28838 1/20 0.40
SCN4A P35499 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 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
SCHEMBL14586288 0.88 TRPA1 (0.44) TRPA1SIGMAR1TAAR1SLC6A2MAOA
SCHEMBL3273891 0.87 TRPA1 (0.46) TRPA1SIGMAR1TAAR1SLC6A2MAOA
SCHEMBL7889486 0.82 EPHX1 (0.52) TRPA1SIGMAR1TAAR1SLC6A2MAOA
Ammonia Solution, Strong SCHEMBL15012391 0.80 EPHX1 (0.50) TRPA1SIGMAR1TAAR1SLC6A2MAOA
SCHEMBL7924694 0.80 ALDH1A1 (0.44) SIGMAR1MAPT
SCHEMBL27522618 0.79 PDE4A (0.44) SIGMAR1
SCHEMBL8734162 0.78 SIGMAR1 (0.46) TRPA1SIGMAR1TAAR1SLC6A2MAOA
SCHEMBL12459378 0.78 SIGMAR1 (0.46) TRPA1SIGMAR1TAAR1SLC6A2MAOA
SCHEMBL18489459 0.78 SIGMAR1 (0.46) TRPA1SIGMAR1TAAR1SLC6A2MAOA
SCHEMBL3685154 0.78 TRPA1 (0.48) TRPA1SIGMAR1TAAR1SLC6A2MAOA

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
US-20090226822-A1 RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA 2009-09-10 US disclosed