SCHEMBL8050764

SCHEMBL8050764

CC(C)(C)C([O])Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.47
TAAR1 Q96RJ0 6/20 0.46
SLC6A2 P23975 3/20 0.46
SIGMAR1 Q99720 2/20 0.46
MAOA P21397 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
CYP1A2 P05177 1/20 0.45
EPHX1 P07099 1/20 0.44
SLC18A2 Q05940 1/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL5609280 0.77 CPA1 (0.46) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL13520607 0.77 TRPA1 (0.47) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL3091182 0.76 TAAR1 (0.50) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL11706061 0.76 TAAR1 (0.50) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL10514103 0.75 EPHX1 (0.52) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL6573345 0.74 KDM4E (0.43) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL207297 0.73 TAAR1 (0.58) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL1287175 0.73 EPHX1 (0.50) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL6478746 0.73 TRPA1 (0.52) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL10253191 0.73 SLC6A2 (0.58) TRPA1TAAR1SLC6A2SIGMAR1MAOA

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-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed