SCHEMBL28073407

SCHEMBL28073407

O=C(O)c1cc(C(=O)O)cc(C(=O)OCC2CO2)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL6951367 0.93 ALDH1A1 (0.47) MGLLALDH1A1TP53CYP3A4
SCHEMBL11116676 0.87 MGLL (0.46) MGLLALDH1A1TP53CYP3A4
SCHEMBL13385709 0.87 PPARG (0.37) MGLLALDH1A1
SCHEMBL1144179 0.86 MGLL (0.47) MGLLCYP2C19
SCHEMBL19628365 0.85 TP53 (0.45) MGLLALDH1A1TP53CYP3A4
SCHEMBL31683006 0.85 ALDH1A1 (0.41) MGLLALDH1A1TP53CYP3A4
SCHEMBL22357190 0.85 ALDH1A1 (0.45) MGLLALDH1A1TP53CYP3A4
SCHEMBL27689081 0.84 ALDH1A1 (0.41) MGLLALDH1A1TP53CYP3A4
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL19837666 0.83 NPC1 (0.52) MGLL
SCHEMBL1714587 0.83 MGLL (0.54) MGLLALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627748-B Preparation method of trimesic acid triglycidyl ester 黄山华惠科技有限公司 2021-07-30 CN disclosed
CN-107418287-B Method for producing coating curing agent and application of coating curing agent in coating 上海药合生化科技有限公司 2020-10-16 CN disclosed
CN-110627748-A Preparation method of trimesic acid triglycidyl ester 黄山华惠科技有限公司 2019-12-31 CN disclosed
CN-106117658-A A kind of cold-resistant rubber material 山东永泰集团有限公司 2016-11-16 CN disclosed
CN-106046462-A Cold-resisting rubber 山东永泰集团有限公司 2016-10-26 CN disclosed
CN-106009128-A Cold-resistant rubber for tires of passenger cars 山东永泰集团有限公司 2016-10-12 CN disclosed
CN-105968455-A Cold-resistant rubber for small car tires 山东永泰集团有限公司 2016-09-28 CN disclosed
CN-105968467-A Cold-resistant rubber for truck tire 山东永泰集团有限公司 2016-09-28 CN disclosed