SCHEMBL9641097

SCHEMBL9641097

COc1ccc2c(c1)C(=O)CC(=O)O2.O=[N+]([O-])c1ccccc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ GAA P10253 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ ABCB1 P08183 1/20 0.41
▸ AR P10275 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ DNMT3B Q9UBC3 4/20 0.40
▸ MAPT P10636 7/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ ALOX15 P16050 1/20 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
SCHEMBL9640717 0.83 MAPT (0.37) GAAKMT2AMEN1ARMAPT
SCHEMBL9641587 0.83 MAPT (0.37) ALDH1A1KMT2AMAPTMAPK1HSD17B10
SCHEMBL9642303 0.83 GABRA1 (0.41) ALDH1A1KMT2AARCA2CA9
SCHEMBL9642273 0.82 MAPT (0.46) ALDH1A1KMT2ACA2CA9CA1
SCHEMBL9641942 0.79 ABCB1 (0.42) ALDH1A1GAAKMT2AMEN1ABCB1
SCHEMBL9641553 0.73 MAPT (0.44) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL16334358 0.70 MAOB (0.51) ALDH1A1CA2CA9KDM4ESMN1; SMN2
SCHEMBL9640745 0.70 ALDH1A1 (0.41) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL703717 0.68 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1ABCB1MAPT
SCHEMBL29729405 0.68 ALDH1A1 (0.51) ALDH1A1GAAKMT2AMEN1MAPT

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-5106407-A Algicides, funcilides, bactericides THE DOW CHEMICAL COMPANY (US) 1992-04-21 — — US disclosed
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