SCHEMBL28140352

SCHEMBL28140352

O=C(O)c1cc(C(=O)O)cc(C(=O)OC(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
PRKCA P17252 3/20 0.34
PRKCD Q05655 2/20 0.33
TPMT P51580 1/20 0.32
POLB P06746 1/20 0.32
POLA1 P09884 1/20 0.32
ANTXR2 P58335 1/20 0.32
SERPINE1 P05121 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CYP4F2 P78329 1/20 0.30

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 0.83 CYP4F2 (0.44) PDE4ATDP1LMNAUSP2SLCO1B1
SCHEMBL28440535 0.83 CYP4F2 (0.44) PDE4ATDP1LMNAUSP2SLCO1B1
SCHEMBL16585688 0.83 SERPINE1 (0.50) TDP1LMNAL3MBTL1POLBPOLA1
SCHEMBL4434115 0.83 PRKCA (0.50) PDE4ATDP1LMNAPRKCAPOLB
SCHEMBL6235860 0.83 PRKCA (0.50) PDE4ATDP1LMNAPRKCAPOLB
SCHEMBL9792087 0.81 PRKCA (0.49) PDE4ATDP1LMNAPRKCAPOLB
SCHEMBL21568502 0.78 LMNA (0.44) TDP1LMNAUSP2SLCO1B1L3MBTL1
SCHEMBL29020066 0.78 LMNA (0.44) TDP1LMNAUSP2SLCO1B1L3MBTL1
SCHEMBL28141164 0.77 PDE4A (0.44) PDE4ATDP1LMNAUSP2SLCO1B1
SCHEMBL28448231 0.76 CYP4F2 (0.42) PDE4ATDP1LMNAUSP2SLCO1B1

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-A Polyol ester and application of same to processing of halogenated vinyl polymer 山东金昌树新材料科技有限公司 2017-05-10 CN disclosed