SCHEMBL7183358

SCHEMBL7183358

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.45
TAAR1 Q96RJ0 4/20 0.45
SIGMAR1 Q99720 4/20 0.45
SLC6A2 P23975 2/20 0.45
MAOA P21397 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CYP2A6 P11509 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
SLC18A2 Q05940 1/20 0.42
CYP2D6 P10635 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CTRB1 P17538 3/20 0.41
ALPL P05186 1/20 0.40
POLB P06746 1/20 0.40
ALPG P10696 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL7192690 0.96 TRPA1 (0.45) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL7175865 0.91 SIGMAR1 (0.48) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL7181583 0.89 SIGMAR1 (0.46) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL7183353 0.89 SIGMAR1 (0.46) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL383871 0.87 SIGMAR1 (0.45) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL7175083 0.87 TRPA1 (0.45) TRPA1TAAR1SIGMAR1SLC6A2MAOA
Bromide SCHEMBL515994 0.84 SIGMAR1 (0.54) TRPA1TAAR1SIGMAR1SLC6A2MAOA
Fluoride Ion SCHEMBL28882550 0.84 SIGMAR1 (0.54) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL9752209 0.84 SIGMAR1 (0.54) TRPA1TAAR1SIGMAR1SLC6A2MAOA
Fluoride Ion SCHEMBL4615583 0.84 SIGMAR1 (0.54) TRPA1TAAR1SIGMAR1SLC6A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030195329-A1 Aromatic polycarbonate, composition thereof , and use TEIJIN LIMITED (JP) 2003-10-16 US disclosed
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