SCHEMBL3246703

SCHEMBL3246703

CCOc1cc(C(=O)OC(C)I)c2c(=O)c3ccccc3sc2c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 19/20 0.46
MAOB P27338 19/20 0.46
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL29501112 0.87 GABRP (0.50) MAOAMAOBMEN1ALDH1A1POLB
SCHEMBL51833 0.87 GABRP (0.50) MAOAMAOBMEN1ALDH1A1POLB
SCHEMBL3635172 0.84 MAOB (0.45) MAOAMAOBMEN1ALDH1A1POLB
SCHEMBL3244937 0.84 MAOA (0.45) MAOAMAOBMEN1ALDH1A1POLB
SCHEMBL4431580 0.79 MAOA (0.41) MAOAMAOBMEN1ALDH1A1POLB
SCHEMBL9455912 0.78 MAPT (0.49) MAOAMAOBMEN1ALDH1A1POLB
SCHEMBL11167133 0.75 MAPT (0.53) MAOAMAOBMEN1ALDH1A1POLB
SCHEMBL3251039 0.73 MAOA (0.36) MAOAMAOBMEN1ALDH1A1POLB
SCHEMBL28837371 0.73 GABRP (0.49) MAOAMAOBMEN1ALDH1A1POLB
SCHEMBL51940 0.72 GABRP (0.48) MAOAMAOBMEN1ALDH1A1POLB

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-2190887-A1 PHOTOINITIATORS FOR ENERGY CURING Lamberti Spa (IT) 2010-06-02 EP claimed
WO-2009037130-A1 PHOTOINITIATORS FOR ENERGY CURING LAMBERTI SPA (IT) 2009-03-26 WO claimed