SCHEMBL9683172

SCHEMBL9683172

CC(C)OC(=O)c1ccc(C(=O)OCCO)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.65
CYP4A11 Q02928 1/20 0.65
CA12 O43570 3/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA7 P43166 3/20 0.59
CA9 Q16790 3/20 0.59
CA14 Q9ULX7 3/20 0.59
PDCD1 Q15116 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 3/20 0.47
ESR1 P03372 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CHRM1 P11229 1/20 0.47

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
SCHEMBL26718655 0.86 ALDH1A1 (0.66) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL11402657 0.85 CYP4F2 (0.47) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL26378 0.84 TDP1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL23471368 0.84 CYP4F2 (0.58) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL18608221 0.84 CA12 (0.58) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL26495818 0.84 MAPK1 (0.63) CYP4F2CYP4A11CA12CA1CA2
Acetone SCHEMBL28904622 0.83 TSHR (0.55) CA12CA1CA2CA7CA9
SCHEMBL13292517 0.82 TDP1 (0.54) CYP4A11CA12CA1CA2CA7
SCHEMBL19235060 0.82 TDP1 (0.54) CYP4A11CA12CA1CA2CA7
Lithium SCHEMBL30805733 0.82 TDP1 (0.54) CA12CA1CA2CA7CA9

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-5084173-A Polyolefin fiber, coating of ethylene-vinyl alcohol copolymer ASAHI MEDICAL CO., LTD. (JP) 1992-01-28 US disclosed