SCHEMBL7170403

SCHEMBL7170403

[H+].[H+].[O-]P([O-])[O-].c1ccc(C[P+](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
TAAR1 Q96RJ0 4/20 0.39
SLC6A2 P23975 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CALM1 P0DP23 1/20 0.39
CYP1A2 P05177 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
SLC18A2 Q05940 1/20 0.37
ANPEP P15144 1/20 0.37
CYP2D6 P10635 1/20 0.37
IDO1 P14902 1/20 0.36
TP53 P04637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL7178357 1.00 EPHX1 (0.42) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL7178324 0.97 EPHX1 (0.44) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL7170405 0.88 CYP1A2 (0.41) EPHX1TAAR1SLC6A2SIGMAR1MAOA
Phenol SCHEMBL18009564 0.85 EPHX1 (0.42) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL7181573 0.85 EPHX1 (0.42) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL7174016 0.84 CYP1A2 (0.39) EPHX1TAAR1SLC6A2SIGMAR1MAOA
Bromide SCHEMBL5091934 0.84 EPHX1 (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA
Iodide SCHEMBL5086967 0.84 EPHX1 (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA
Hydrochloric Acid SCHEMBL5091807 0.84 EPHX1 (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA
Water SCHEMBL10936916 0.84 EPHX1 (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA

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