SCHEMBL8967598

SCHEMBL8967598

COC(=O)CC(OC)c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
CNR2 P34972 2/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
FFAR1 O14842 1/20 0.43
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.42
LDHA P00338 1/20 0.42

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
SCHEMBL21199897 0.86 AOC3 (0.53) AOC3L3MBTL1RAB9AKMT2ANPSR1
SCHEMBL21199833 0.85 ALOX15 (0.52) AOC3L3MBTL1ALDH1A1KMT2AHTT
SCHEMBL28638555 0.84 FFAR1 (0.55) AOC3L3MBTL1KMT2AHTTFFAR1
SCHEMBL10877844 0.84 MAPT (0.44) L3MBTL1ALDH1A1RAB9AHTTLMNA
SCHEMBL22813674 0.84 ADRB1 (0.47) AOC3L3MBTL1ALDH1A1RAB9AKMT2A
SCHEMBL17754960 0.82 RAB9A (0.51) AOC3L3MBTL1ALDH1A1RAB9AKMT2A
SCHEMBL8589119 0.82 L3MBTL1 (0.61) AOC3L3MBTL1ALDH1A1RAB9AKMT2A
SCHEMBL7624631 0.82 KCNA5 (0.50) L3MBTL1ALDH1A1RAB9AKMT2AMEN1
SCHEMBL11468345 0.81 AOC3 (0.55) AOC3L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL5468798 0.81 AOC3 (0.57) AOC3L3MBTL1ALDH1A1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110143878-B Preparation method of methyl p-methoxycinnamate 万华化学集团股份有限公司 2021-10-22 CN disclosed
US-10934531-B2 Method for enantioselective carbene C—H insertion using an iron-containing protein catalyst CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-03-02 US disclosed
US-20190276805-A1 METHOD FOR ENANTIOSELECTIVE CARBENE C-H INSERTION USING AN IRON-CONTAINING PROTEIN CATALYST CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-09-12 US disclosed
EP-0490198-B1 Process for the preparation of 3-aryle acrylic acids and their derivatives BASF AG (DE) 1996-02-28 EP disclosed
US-5359122-A Preparation of 3-arylacrylic acids and their derivatives BASF AKTIENGESELLSCHAFT (DE) 1994-10-25 US disclosed
EP-0490198-A2 Process for the preparation of 3-aryle acrylic acids and their derivatives BASF Aktiengesellschaft (DE) 1992-06-17 EP disclosed