SCHEMBL10858283

SCHEMBL10858283

COc1c(Nc2ccc([N+](=O)[O-])cc2C(=O)O)cccc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 1/20 0.65
▸ MAX P61244 1/20 0.65
▸ CTSV O60911 3/20 0.63
▸ CTSL P07711 3/20 0.63
▸ MAPT P10636 5/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ ANO1 Q5XXA6 1/20 0.57
▸ ANO2 Q9NQ90 1/20 0.57
▸ AKR1C3 P42330 8/20 0.56
▸ AKR1C2 P52895 8/20 0.56
▸ AKR1C4 P17516 2/20 0.53
▸ AKR1C1 Q04828 2/20 0.53
▸ AKR1B10 O60218 1/20 0.53
▸ AKR1B1 P15121 1/20 0.53
▸ GAA P10253 1/20 0.51

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
SCHEMBL10524945 0.85 CTSV (0.67) MYCMAXCTSVCTSLMAPT
SCHEMBL22720195 0.84 CTSV (0.78) MYCMAXCTSVCTSLMAPT
SCHEMBL3022957 0.84 MAPT (0.67) MYCMAXCTSVCTSLMAPT
SCHEMBL16737091 0.84 ANO1 (0.67) MYCMAXCTSVCTSLMAPT
SCHEMBL6141339 0.83 CTSV (0.76) MYCMAXCTSVCTSLMAPT
SCHEMBL16737165 0.82 ANO1 (0.66) MYCMAXCTSVCTSLMAPT
SCHEMBL22720146 0.82 CTSV (0.81) MYCMAXCTSVCTSLMAPT
SCHEMBL16737126 0.81 ANO1 (0.64) MYCMAXCTSVCTSLMAPT
SCHEMBL3034237 0.80 KMT2A (0.66) MYCMAXCTSVCTSLMAPT
SCHEMBL16737146 0.80 CTSV (0.65) MYCMAXCTSVCTSLMAPT

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-4590277-A BACTERICIDES, ANTITUMOR AGENTS DEVELOPMENT FINANCE CORPORATION OF NEW ZEALAND (NZ) 1986-05-20 — — US disclosed
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