SCHEMBL7183353

SCHEMBL7183353

C[P+](C)(C)Cc1ccccc1.[H+].[H+].[O-]B([O-])[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.46
TAAR1 Q96RJ0 5/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
MAOA P21397 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
SLC18A2 Q05940 1/20 0.43
CYP2D6 P10635 1/20 0.43
TRPA1 O75762 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 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
SCHEMBL7181583 1.00 SIGMAR1 (0.46) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7175865 0.98 SIGMAR1 (0.48) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7192690 0.89 TRPA1 (0.45) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7183358 0.89 TRPA1 (0.45) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL383871 0.89 SIGMAR1 (0.45) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Fluoride Ion SCHEMBL64308 0.88 SIGMAR1 (0.52) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7176065 0.86 SIGMAR1 (0.46) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7180480 0.86 SIGMAR1 (0.46) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7175078 0.86 SIGMAR1 (0.46) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Fluoride Ion SCHEMBL4615583 0.85 SIGMAR1 (0.54) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3

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
EP-1275694-A1 AROMATIC POLYCARBONATE COMPOSITION, PROCESS FOR PRODUCING THE SAME, AND MOLDED ARTICLE THEREOF TEIJIN LIMITED (JP) 2003-01-15 EP disclosed
US-20020103328-A1 Aromatic polycarbonate composition, production process therefor and molded product thereof TEIJIN LIMITED 2002-08-01 US disclosed