SCHEMBL9442133

SCHEMBL9442133

O=CCOc1cccc(N2C(=O)C=CC2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 13/20 0.58
▸ FAAH O00519 5/20 0.56
▸ HSP90AA1 P07900 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ HPN P05981 1/20 0.44
▸ GRM5 P41594 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ G6PD P11413 1/20 0.37

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
SCHEMBL9435438 0.86 MGLL (0.57) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL29065797 0.83 MGLL (0.66) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL10683140 0.78 MGLL (0.64) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL11614328 0.77 MGLL (0.58) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL2120164 0.77 MGLL (0.72) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL10038476 0.76 MGLL (0.53) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL29352936 0.75 MGLL (0.70) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL30104191 0.75 MGLL (0.70) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL29353079 0.75 MGLL (0.70) MGLLFAAHHSP90AA1ALDH1A1PKM
SCHEMBL332317 0.75 MGLL (0.70) MGLLFAAHHSP90AA1ALDH1A1PKM

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-5198325-A PHOTOPOLYMERIZABLE MIXTURE, COPYING MATERIAL CONTAINING SAME AND PROCESS FOR PRODUCING HIGHLY HEAT-RESISTANT RELIEF STRUCTURES WHEREIN A TRIHALOMETHYL IS THE PHOTOINITIATOR HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-30 — — US disclosed
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