SCHEMBL9444564

SCHEMBL9444564

CCOC(=O)CCc1cccc(C(=O)c2cccc(C(=O)OCC)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.63
CYP4A11 Q02928 5/20 0.63
MAPT P10636 2/20 0.54
MEP1B Q16820 1/20 0.49
CA2 P00918 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL10508352 0.86 CYP4F2 (0.49) CYP4F2CYP4A11MAPTRAB9AALDH1A1
SCHEMBL27695146 0.86 CYP4F2 (0.58) CYP4F2CYP4A11MAPTMEP1BCA2
SCHEMBL11638638 0.83 CYP4F2 (0.69) CYP4F2CYP4A11MAPTMEP1BCA2
SCHEMBL4339720 0.83 CYP4F2 (0.54) CYP4F2CYP4A11MAPTRAB9AALDH1A1
SCHEMBL2571306 0.83 CYP4F2 (0.54) CYP4F2CYP4A11MAPTRAB9AALDH1A1
SCHEMBL31455578 0.83 CYP4F2 (0.54) CYP4F2CYP4A11MAPTRAB9AALDH1A1
SCHEMBL4425984 0.82 CYP4F2 (0.64) CYP4F2CYP4A11ALDH1A1
SCHEMBL8949618 0.82 CA12 (0.52) CYP4F2CYP4A11MAPTCA2NPC1
SCHEMBL27676657 0.82 CYP4F2 (0.60) CYP4F2CYP4A11MAPTMEP1BCA2
SCHEMBL13104077 0.81 CYP4F2 (0.58) CYP4F2CYP4A11MAPTALDH1A1

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-5273999-A A 4-keto-boroalkyleneoxychroman or 2,3-dihydrobenzofuran derivative HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed