SCHEMBL7629092

SCHEMBL7629092

C(/C=C/Cc1ccccc1)=C\Cc1ccccc1.C=C/C(C)=C/C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ARG2 P78540 1/20 0.43
TOP1 P11387 1/20 0.37
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 2/20 0.33
NOS2 P35228 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
AKT1 P31749 1/20 0.31
ATM Q13315 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL7629095 1.00 MAOB (0.48) MAOBCA1CA2ARG2TOP1
SCHEMBL628859 0.78 MAOB (0.78) MAOBCA1CA2ARG2TOP1
SCHEMBL462351 0.78 MAOB (0.78) MAOBCA1CA2ARG2TOP1
SCHEMBL13589779 0.77 MAOB (0.44) MAOBCA1CA2ARG2ALDH1A1
SCHEMBL26306910 0.77 MAOB (0.44) MAOBCA1CA2ARG2ALDH1A1
SCHEMBL15466750 0.77 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL15466749 0.77 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL30075910 0.76 MAOB (0.74) MAOBCA1CA2ARG2TOP1
SCHEMBL27558493 0.76 MAOB (0.74) MAOBCA1CA2ARG2TOP1
SCHEMBL8666318 0.76 MAOB (0.41) MAOBCA1CA2ARG2TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6437060-B1 Process for the polymerization of olefins in the gas phase BP CHEMICALS LIMITED (GB) 2002-08-20 US disclosed