SCHEMBL9640762

SCHEMBL9640762

CC1(C)OC(=O)CC(=O)O1.COc1ccc(I)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPK1 P28482 3/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ NQO1 P15559 1/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ DNMT3B Q9UBC3 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
SCHEMBL9641085 0.83 TSHR (0.45) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL703717 0.82 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL30777879 0.82 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL9641099 0.82 MAPK1 (0.40) ALDH1A1MAPTMAPK1SMN1; SMN2MEN1
SCHEMBL9640741 0.79 HSD17B10 (0.39) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9640745 0.77 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL9640742 0.70 ALDH1A1 (0.33) ALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL1025833 0.70 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL29729405 0.70 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL10340370 0.70 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2

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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