SCHEMBL4386780

SCHEMBL4386780

C[P+](C)(C)Cc1ccccc1.c1ccc(C[B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.41
TAAR1 Q96RJ0 5/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
MAOA P21397 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
SLC18A2 Q05940 1/20 0.38
CYP2D6 P10635 1/20 0.38
TRPA1 O75762 2/20 0.37
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR2A P28223 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
EPHX1 P07099 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL307003 0.83 CALM1 (0.43) TAAR1CYP2A6TRPA1HTR2A
Lithium Ion SCHEMBL8757501 0.81 CALM1 (0.41) TAAR1CYP2A6TRPA1HTR2A
SCHEMBL17417857 0.81 CALM1 (0.41) TAAR1CYP2A6TRPA1HTR2A
Ammonia Solution, Strong SCHEMBL15569691 0.81 CALM1 (0.41) TAAR1CYP2A6TRPA1HTR2A
Tetramethylammonium Ion SCHEMBL5079963 0.79 ALDH1A1 (0.43) TRPA1MEN1KMT2A
Fluoride Ion SCHEMBL4615583 0.79 SIGMAR1 (0.54) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Fluoride Ion SCHEMBL28882550 0.79 SIGMAR1 (0.54) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Iodide SCHEMBL931546 0.79 SIGMAR1 (0.54) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Bromide SCHEMBL515994 0.79 SIGMAR1 (0.54) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL9752209 0.79 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629431-B2 Polycarbonate prepolymer for solid phase polymerization and process for producing polycarbonate IDEMITSU KOSAN CO., LTD. (JP) 2009-12-08 US disclosed
US-7390868-B2 Catalyst for polycarbonate production and process for producing polycarbonate NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2008-06-24 US disclosed
US-20080064847-A1 Oxidative carbonylation; molecular weight control IDEMISU KOSAN CO., LTD. (JP) 2008-03-13 US disclosed
US-20070043199-A1 Catalyst for polycarbonate production and process for producing polycarbonate IDEMITSU KOSAN CO., LTD. (JP) 2007-02-22 US disclosed