SCHEMBL7309367

SCHEMBL7309367

CC(OC(=O)CC(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.53
FFAR1 O14842 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.44
LPAR1 Q92633 4/20 0.43
OPRM1 P35372 3/20 0.43
APAF1 O14727 1/20 0.42
LPAR3 Q9UBY5 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 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
SCHEMBL3883004 0.92 HCAR2 (0.56) HCAR2FFAR1KDM4EMAPTTSHR
SCHEMBL19277737 0.87 HCAR2 (0.51) HCAR2FFAR1KDM4EMAPTTSHR
SCHEMBL3320379 0.87 HCAR2 (0.51) HCAR2FFAR1KDM4EMAPTTSHR
SCHEMBL3320374 0.87 HCAR2 (0.51) HCAR2FFAR1KDM4EMAPTTSHR
SCHEMBL3320372 0.87 HCAR2 (0.51) HCAR2FFAR1KDM4EMAPTTSHR
SCHEMBL6513815 0.86 HCAR2 (0.44) HCAR2FFAR1KDM4EMAPTTSHR
SCHEMBL11461421 0.85 HCAR2 (0.56) HCAR2FFAR1KDM4EMAPTTSHR
SCHEMBL21626578 0.84 FFAR1 (0.53) HCAR2FFAR1KDM4EMAPTTSHR
SCHEMBL4251848 0.84 FFAR1 (0.53) HCAR2FFAR1KDM4EMAPTTSHR
SCHEMBL27270004 0.84 APAF1 (0.45) MAPTTSHRKMT2AAPAF1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106522885-A Wax removing method for oil well in oil extraction process 崔虹雯 2017-03-22 CN claimed
CN-117486887-A Polycyclic pyrimidine-4-ketone compound and preparation method and application thereof 昆明学院 2024-02-02 CN disclosed
CN-112782319-A Analysis method of caffeic acid phenethyl ester 北京欧德福瑞医药科技发展有限公司 2021-05-11 CN disclosed
CN-111807958-A Synthesis method of caffeic acid phenethyl ester 蔚源生物科技(平顶山)有限公司 2020-10-23 CN disclosed
CN-111807958-A Synthesis method of caffeic acid phenethyl ester 蔚源生物科技(平顶山)有限公司 2020-10-23 CN disclosed
CN-105980345-B Method for continuously producing ketomalonic acid compound using flow reactor 组合化学工业株式会社 2019-12-20 CN disclosed
CN-107344933-A The preparation method and its usage of chiral UD-CG115BS.acardi 蒿莱医药技术(上海)有限公司 2017-11-14 CN disclosed
CN-106522885-A Wax removing method for oil well in oil extraction process 崔虹雯 2017-03-22 CN disclosed
CN-101633619-B Method for purifying high-purity phenyl ethyl malonate JIANGSU SENXUAN PHARMACEUTICAL CO LTD 2012-06-20 CN disclosed
CN-101633619-A Method for purifying high-purity phenyl ethyl malonate JIANGSU SENXUAN PHARMACEUTICAL 2010-01-27 CN disclosed
EP-0729936-B1 Process for the synthesis of alpha substituted acrylic acids and N-(mercaptoacyl)amino acids BIOPROJET SOC CIV (FR) 1999-07-07 EP disclosed
EP-0729936-A1 Process for the synthesis of alpha substituted acrylic acids and their application SOCIETE CIVILE BIOPROJET (FR) 1996-09-04 EP disclosed
US-5149692-A Hypotensive agents, congestive heart failure WARNER-LAMBERT COMPANY (US) 1992-09-22 US disclosed