SCHEMBL28630446

SCHEMBL28630446

COc1cc(/C=C(\O)C(=O)O)cc(OC)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.59
PTGS2 P35354 2/20 0.59
PTGS1 P23219 1/20 0.59
CYP3A4 P08684 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2B6 P20813 2/20 0.56
CYP2D6 P10635 1/20 0.56
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
KMT2A Q03164 4/20 0.52

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
SCHEMBL718131 0.85 PKM (0.59) PKMPTGS2PTGS1CYP3A4CYP1A2
SCHEMBL6072489 0.84 PKM (0.57) PKMPTGS2PTGS1CYP3A4CYP1A2
SCHEMBL30812355 0.84 PKM (0.57) PKMPTGS2PTGS1CYP3A4CYP1A2
SCHEMBL30394931 0.81 MAPT (0.58) PKMPTGS2PTGS1CYP3A4CYP1A2
SCHEMBL5770279 0.81 MAPT (0.58) PKMPTGS2PTGS1CYP3A4CYP1A2
SCHEMBL6655465 0.81 MAPT (0.67) PKMPTGS2PTGS1CYP3A4CYP1A2
SCHEMBL9688979 0.81 MAPT (0.58) PKMPTGS2PTGS1CYP3A4CYP1A2
SCHEMBL23761193 0.80 GAA (0.65) PKMPTGS2PTGS1CYP1A2KMT2A
SCHEMBL31302634 0.80 PKM (0.53) PKMPTGS2PTGS1CYP3A4CYP1A2
SCHEMBL2394287 0.80 PKM (0.53) PKMPTGS2PTGS1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114075388-B Thermosetting release coating agent, cured product, thermosetting release film, and method for producing same 荒川化学工业株式会社 2023-10-20 CN disclosed
CN-116693932-A Regenerated polymer material and method for producing same, cleaning agent and method for producing regenerated polymer 荒川化学工业株式会社 2023-09-05 CN disclosed
CN-114075388-A Thermosetting release coating agent, cured product, thermosetting release film, and method for producing same 荒川化学工业株式会社 2022-02-22 CN disclosed
CN-113185890-A Thermosetting release coating agent, cured product, thermosetting release film, and method for producing same 荒川化学工业株式会社 2021-07-30 CN disclosed