SCHEMBL28434403

SCHEMBL28434403

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
PRKCA P17252 1/20 0.40
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4A P27815 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL28440535 1.00 CYP4F2 (0.44) CYP4F2CYP4A11TDP1PRKCALMNA
SCHEMBL29020066 0.94 LMNA (0.44) CYP4F2CYP4A11TDP1PRKCALMNA
SCHEMBL21568502 0.94 LMNA (0.44) CYP4F2CYP4A11TDP1PRKCALMNA
SCHEMBL28448231 0.93 CYP4F2 (0.42) CYP4F2CYP4A11TDP1PRKCALMNA
SCHEMBL4434115 0.92 PRKCA (0.50) CYP4F2CYP4A11TDP1PRKCALMNA
SCHEMBL6235860 0.92 PRKCA (0.50) CYP4F2CYP4A11TDP1PRKCALMNA
SCHEMBL9792087 0.90 PRKCA (0.49) CYP4F2CYP4A11TDP1PRKCALMNA
SCHEMBL28140352 0.83 PDE4A (0.38) CYP4F2CYP4A11TDP1PRKCALMNA
SCHEMBL28438465 0.83 TDP1 (0.40) TDP1PRKCALMNAL3MBTL1PDE4A
SCHEMBL28444458 0.83 TDP1 (0.40) TDP1PRKCALMNAL3MBTL1PDE4A

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