SCHEMBL13979983

SCHEMBL13979983

COc1ccc2c(c1)c(C(=O)Oc1c(C)cc(C(=O)OCc3ccccc3)cc1C)c1cc(OCc3ccccc3)ccc1[n+]2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
MAOB P27338 2/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
PLA2G2A P14555 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 2/20 0.38
ATM Q13315 1/20 0.38
MMP13 P45452 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
PKM P14618 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
SCHEMBL12907530 0.96 NPC1 (0.40) L3MBTL1CASP3SENP8SENP7SENP6
Trifluoromethanesulfonic Acid SCHEMBL4800357 0.92 L3MBTL1 (0.37) L3MBTL1MAOBCASP3SENP8SENP7
SCHEMBL7532893 0.87 DHODH (0.36) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL4802002 0.87 PLA2G2A (0.48) L3MBTL1MAOBPLA2G2ALMNAHPGD
SCHEMBL4189457 0.85 LCK (0.39) MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL13633576 0.85 LCK (0.39) MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4187176 0.84 MCL1 (0.39) L3MBTL1MAOBLMNANPC1ATM
SCHEMBL13979973 0.83 TDP1 (0.35) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL13979971 0.83 LMNA (0.43) L3MBTL1LMNAHPGDNPC1PKM
SCHEMBL7538206 0.83 NPC1 (0.37) L3MBTL1CASP3SENP8SENP7SENP6

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-7459284-B2 Chemiluminescent acridinium compounds and analogues thereof as substrates of hydrolytic enzymes SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2008-12-02 US disclosed