SCHEMBL8969442

SCHEMBL8969442

C1=CC1.CCOC(=O)CCc1ccccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.68
CYP4A11 Q02928 3/20 0.68
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 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
SCHEMBL1246063 0.94 CYP4F2 (0.76) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL11410892 0.88 CYP4F2 (0.68) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL7722448 0.84 CYP4F2 (0.70) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL69660 0.84 CYP4F2 (0.86) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL1859513 0.83 CYP4F2 (0.78) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL13948404 0.82 CYP4F2 (0.73) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL8567928 0.82 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL490584 0.81 IAPP (0.64) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL16318789 0.81 CYP4F2 (0.62) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL14360800 0.81 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1NPC1PKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed