SCHEMBL28448231

SCHEMBL28448231

O=C(OC(O)[C@@H](O)[C@@H](O)CO)c1ccc(C(=O)OC(O)[C@@H](O)[C@@H](O)CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
PRKCA P17252 1/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
PDE4A P27815 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL28434403 0.93 CYP4F2 (0.44) CYP4F2CYP4A11PRKCACA1CA2
SCHEMBL28440535 0.93 CYP4F2 (0.44) CYP4F2CYP4A11PRKCACA1CA2
SCHEMBL29020066 0.87 LMNA (0.44) CYP4F2CYP4A11PRKCAALDH1A1TSHR
SCHEMBL21568502 0.87 LMNA (0.44) CYP4F2CYP4A11PRKCAALDH1A1TSHR
SCHEMBL6235860 0.84 PRKCA (0.50) CYP4F2CYP4A11PRKCAALDH1A1TP53
SCHEMBL4434115 0.84 PRKCA (0.50) CYP4F2CYP4A11PRKCAALDH1A1TP53
SCHEMBL9792087 0.83 PRKCA (0.49) CYP4F2CYP4A11PRKCAALDH1A1TP53
SCHEMBL28446203 0.81 TSHR (0.41) PRKCAALDH1A1TP53TSHRLMNA
SCHEMBL5693883 0.79 CYP4A11 (0.47) CYP4F2CYP4A11PRKCACA1CA2
SCHEMBL28140352 0.76 PDE4A (0.38) CYP4F2CYP4A11PRKCACA1CA2

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
CN-106631779-B Polyol esters and their use in processing halogenated vinyl polymers 济南金昌树新材料科技有限公司 2020-07-14 CN disclosed