SCHEMBL2500707

SCHEMBL2500707

CC(=O)CC(=O)OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
ALOX15 P16050 1/20 0.48
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 3/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HMGB1 P09429 1/20 0.43
GGT1 P19440 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
BLM P54132 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 3/20 0.41

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
SCHEMBL2500704 0.93 TSHR (0.48) ALDH1A1KDM4EHSD17B10TSHRTDP1
SCHEMBL27554071 0.84 ALDH1A1 (0.54) ALDH1A1ALOX15KDM4EHSD17B10TSHR
SCHEMBL404782 0.82 ALDH1A1 (0.56) ALDH1A1ALOX15KDM4EHSD17B10TSHR
SCHEMBL17433505 0.82 ALDH1A1 (0.45) ALDH1A1ALOX15KDM4EHSD17B10TSHR
SCHEMBL29262199 0.81 ADRB2 (0.46) ALDH1A1TSHRHPGDTDP1CYP1A2
SCHEMBL29090806 0.81 ALDH1A1 (0.47) ALDH1A1ALOX15KDM4EHSD17B10TSHR
SCHEMBL28170961 0.81 LMNA (0.58) ALDH1A1ALOX15KDM4EHSD17B10TSHR
SCHEMBL11499635 0.81 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL27547208 0.81 ALDH1A1 (0.47) ALDH1A1ALOX15KDM4EHSD17B10TSHR
SCHEMBL28694899 0.81 ALDH1A1 (0.50) ALDH1A1ALOX15KDM4EHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102753156-B Oral complex formulation comprising probiotic composition and 5-HT4 receptor agonist and method for preparing same HANMI HOLDINGS Co.,Ltd. (KR) 2014-10-08 CN claimed
CN-102753156-A Oral complex formulation comprising probiotic composition and 5-HT4 receptor agonist and method for preparing same HANMI HOLDINGS CO LTD 2012-10-24 CN claimed
US-11331324-B2 Modified release suspension of eslicarbazepine Jubilant Generics Limited 2022-05-17 US disclosed
CN-105726460-A Dosage Form 雅戈泰克股份公司 2016-07-06 CN disclosed
CN-102753156-B Oral complex formulation comprising probiotic composition and 5-HT4 receptor agonist and method for preparing same HANMI HOLDINGS Co.,Ltd. (KR) 2014-10-08 CN disclosed
CN-103037850-A Dosage forms JAGOTEC AG 2013-04-10 CN disclosed
US-8362297-B2 High protein supplement SCHEELE, GEORGE 2013-01-29 US disclosed
CN-102753156-A Oral complex formulation comprising probiotic composition and 5-HT4 receptor agonist and method for preparing same HANMI HOLDINGS CO LTD 2012-10-24 CN disclosed
US-20110245158-A1 High Protein Supplement SCHEELE, GEORGE 2011-10-06 US disclosed
CN-101969957-A Compositions for the treatment of gastrointestinal inflammation MERITAGE PHARMA INC 2011-02-09 CN disclosed
CN-1009934-B OLEFIN POLYMERIZATION CATALYST AMOCO CORP (US) 1990-10-10 CN disclosed
CN-87105136-A Olefin polymerization catalysis 1988-06-22 CN disclosed