SCHEMBL7181576

SCHEMBL7181576

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CYP1A2 P05177 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
EPHX1 P07099 1/20 0.41
TSHR P16473 1/20 0.40
CTRB1 P17538 3/20 0.39
ARG2 P78540 1/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
TRPA1 O75762 1/20 0.39
ALPL P05186 1/20 0.38
POLB P06746 1/20 0.38
ALPG P10696 1/20 0.38
SLC6A2 P23975 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38

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
SCHEMBL7194414 0.95 CA1 (0.43) CA1CA2CYP1A2CES2CES1
SCHEMBL7171623 0.89 TRPA1 (0.44) CA1CA2CTRB1TRPA1ALPL
SCHEMBL7181573 0.88 EPHX1 (0.42) CYP1A2CES2CES1EPHX1TSHR
SCHEMBL7175135 0.84 SIGMAR1 (0.46) EPHX1TRPA1POLBSLC6A2TAAR1
Phenol SCHEMBL18009564 0.83 EPHX1 (0.42) CYP1A2CES2CES1EPHX1TSHR
SCHEMBL7175083 0.82 TRPA1 (0.45) CA1CA2CTRB1TRPA1ALPL
SCHEMBL7183358 0.82 TRPA1 (0.45) CA1CA2CTRB1TRPA1ALPL
Bromide SCHEMBL5091934 0.82 EPHX1 (0.50) CYP1A2EPHX1TSHRTRPA1SLC6A2
Hydrochloric Acid SCHEMBL5091807 0.82 EPHX1 (0.50) CYP1A2EPHX1TSHRTRPA1SLC6A2
Iodide SCHEMBL5086967 0.82 EPHX1 (0.50) CYP1A2EPHX1TSHRTRPA1SLC6A2

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