SCHEMBL903306

SCHEMBL903306

CCOC(=O)C(O)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
TRPA1 O75762 1/20 0.39
GLO1 Q04760 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.36
PIN1 Q13526 1/20 0.35
HPGD P15428 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL1249258 0.86 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL901093 0.80 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL6667841 0.79 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL2771265 0.78 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL14139334 0.77 ALOX15 (0.52) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL804264 0.77 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL27730937 0.77 MGAM (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL12540148 0.77 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL9574819 0.77 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL4944171 0.76 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10ALOX15MGAM

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109081327-A A kind of bowl-shape porous carbon microsphere and preparation method thereof 郑州大学 2018-12-25 CN claimed
CN-105675636-B A kind of XRD quantitative analysis methods based on gypsoide in cement-based material 济南大学 2018-06-26 CN claimed
US-4952690-A 6-substituted thia-aza compounds CIBA-GEIGY CORPORATION (US) 1990-08-28 US claimed
EP-2844634-B1 PROCESS FOR THE PREPARATION OF INTERMEDIATE COMPOUNDS FOR PREPARING VITAMIN B6 DSM IP ASSETS BV (NL) 2021-04-14 EP disclosed
CN-108689952-A A kind of preparation method of prothioconazoles 南通泰禾化工股份有限公司 2018-10-23 CN disclosed
CN-108424371-A 2-(4- aminocyclohexyls)The preparation method of ethyl acetate 北京理工大学 2018-08-21 CN disclosed
CN-107722808-A A kind of high elastic rubber coating and its construction method 南京晟强橡塑有限公司 2018-02-23 CN disclosed
EP-2844634-A1 NEW INTERMEDIATE COMPOUND FOR PREPARING VITAMIN B6 DSM IP Assets B.V. (NL) 2015-03-11 EP disclosed
EP-2621924-B1 HERBICIDAL BENZOXAZINONES BASF SE (DE) 2015-03-04 EP disclosed
US-8669208-B2 Herbicidal benzoxazinones BASF SE (DE) 2014-03-11 US disclosed
WO-2013163889-A1 NEW INTERMEDIATE COMPOUND FOR PREPARING VITAMIN B6 DSM IP ASSETS B.V. (NL) 2013-11-07 WO disclosed
EP-0007633-B1 CEPHEM COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-04-18 EP disclosed
US-4372952-A Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-08 US disclosed
US-4331676-A 2-PENEM COMPOUNDS UNSUBSTITUTED IN THE 6 POSITION CIBA-GEIGY CORPORATION (US) 1982-05-25 US disclosed
EP-0049539-A1 Thiazole derivatives for preparing cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-04-14 EP disclosed
US-4284631-A 7-Substituted cephem compounds and pharmaceutical antibacterial compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed
EP-0007633-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-06 EP disclosed
US-4146724-A PROCESS FOR THE MANUFACTURE OF ISOPROPYL 4-METHYLIMIDAZOLE-5-CARBOXYLATE BASF AKTIENGESELLSCHAFT (DE) 1979-03-27 US disclosed
US-4015008-A N,N-dichloro substituted aminocarboxylic acids as microbiocides NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1977-03-29 US disclosed
US-3950536-A N,N-Dichloro substituted aminocarboxylic acids as bactericides and fungicides BARER SOL JOSEPH 1976-04-13 US disclosed