SCHEMBL7563567

SCHEMBL7563567

CCCCCc1cc[c]cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.37
TYR P14679 2/20 0.36
TSHR P16473 2/20 0.36
ALOX5 P09917 2/20 0.36
TP53 P04637 2/20 0.36
CYP3A4 P08684 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CTRC Q99895 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HSD17B10 Q99714 2/20 0.34
PTGS2 P35354 2/20 0.33
HSD11B1 P28845 1/20 0.33
KCNH2 Q12809 4/20 0.33
ESR1 P03372 2/20 0.32
ADRA2A P08913 2/20 0.32

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
SCHEMBL8039475 0.94 CTRC (0.40) LIPGTYRTSHRALOX5TP53
SCHEMBL16684700 0.86 TAAR1 (0.31)
SCHEMBL28132912 0.84 LIPG (0.40) LIPGTYRTSHRALOX5TP53
SCHEMBL677099 0.82 LIPG (0.40) LIPGTYRTSHRALOX5TP53
SCHEMBL4865770 0.81 LIPG (0.43) LIPGTYRTSHRALOX5TP53
SCHEMBL1335248 0.81 LIPG (0.43) LIPGTYRTSHRALOX5TP53
SCHEMBL828966 0.81 LIPG (0.43) LIPGTYRTSHRALOX5TP53
SCHEMBL4863392 0.81 LIPG (0.43) LIPGTYRTSHRALOX5TP53
SCHEMBL1334347 0.81 LIPG (0.43) LIPGTYRTSHRALOX5TP53
SCHEMBL4868376 0.81 LIPG (0.43) LIPGTYRTSHRALOX5TP53

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
WO-2002036794-A1 METHOD FOR THE ENZYMATIC OXIDATION OF SUBSTRATES USING H2O¿2? Forschungszentrum Jülich GmbH (DE) 2002-05-10 WO disclosed
US-4775677-A ANTIALLERGNES, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-04 US disclosed