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SCHEMBL9587737

SCHEMBL9587737

CCOC(=O)C(C)(C)OC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BCAT1 P54687 11/20 0.42
▸ BCAT2 O15382 9/20 0.42
▸ MAPT P10636 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34

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
SCHEMBL9587070 0.93 MAPT (0.36) BCAT1BCAT2MAPTHSD17B10SMN1; SMN2
SCHEMBL7844546 0.82 BCAT1 (0.41) BCAT1BCAT2MAPTHSD17B10SMN1; SMN2
SCHEMBL9603218 0.81 CYP4F2 (0.34) MAPTTSHRCYP4F2CYP4A11
SCHEMBL6553785 0.81 CYP4F2 (0.34) MAPTTSHRCYP4F2CYP4A11
SCHEMBL7973578 0.80 BCAT1 (0.43) BCAT1BCAT2MAPTHSD17B10SMN1; SMN2
SCHEMBL9423296 0.80 BCAT1 (0.46) BCAT1BCAT2SMN1; SMN2ALDH1A1
SCHEMBL9581685 0.79 BCAT1 (0.46) BCAT1BCAT2SMN1; SMN2ALDH1A1
SCHEMBL9423250 0.79 BCAT1 (0.48) BCAT1BCAT2SMN1; SMN2ALDH1A1
SCHEMBL6557245 0.78 CA12 (0.46) BCAT1BCAT2MAPTHSD17B10SMN1; SMN2
SCHEMBL9589477 0.78 CYP4F2 (0.33) MAPTTSHRALDH1A1CYP4F2CYP4A11

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-5183492-A Herbicides as enol ethers CIBA-GEIGY CORPORATION (US) 1993-02-02 — — US disclosed