SCHEMBL8917497

SCHEMBL8917497

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MMP8 P22894 1/20 0.40
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
CYP2D6 P10635 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
PIN1 Q13526 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37

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
SCHEMBL3311455 0.93 ALDH1A1 (0.43) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL1406252 0.86 ALDH1A1 (0.42) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL8577401 0.84 ALDH1A1 (0.44) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL15015780 0.82 ALOX15 (0.46) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL6316548 0.81 TDP1 (0.36) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL663775 0.80 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL30371946 0.80 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL17627158 0.80 TDP1 (0.35) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL9798112 0.80 TDP1 (0.35) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL10671854 0.79 ALDH1A1 (0.39) ALDH1A1TDP1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101003480-B Ethane 1,1,2 - ethyl ester tricarboxylic acid, preparation method, and application as plasticizer JINGGANGSHAN COLLEGE 2010-05-19 CN claimed
CN-101003480-A Ethane 1,1,2 - ethyl ester tricarboxylic acid, preparation method, and application as plasticizer JINGGANGSHAN COLLEGE (CN) 2007-07-25 CN claimed
CN-112521350-A Synthetic method of 3-methylamino tetrahydrofuran 江苏广域化学有限公司 2021-03-19 CN disclosed
EP-3529301-A1 FIBER-REINFORCED ORGANIC POLYMER AEROGEL Blueshift Materials, Inc. (US) 2019-08-28 EP disclosed
EP-3405517-A1 ORGANIC POLYMER AEROGELS COMPRISING MICROSTRUCTURES Blueshift Materials, Inc. (US) 2018-11-28 EP disclosed
WO-2018140804-A1 ORGANIC POLYMER AEROGELS COMPRISING MICROSTRUCTURES BLUESHIFT INTERNATIONAL MATERIALS, INC. (US) 2018-08-02 WO disclosed
WO-2018078512-A1 FIBER-REINFORCED ORGANIC POLYMER AEROGEL BLUESHIFT INTERNATIONAL MATERIALS, INC. (US) 2018-05-03 WO disclosed
CN-105254598-A Method for synthesizing 3-tetrahydrofurfuryl alcohol SHIJIAZHUANG XINGBAI BIOENGINEERING CO LTD 2016-01-20 CN disclosed
CN-104961710-A Synthesis method of dinotefuran SHANDONG ACADEMY OF PESTICIDE SCIENCES 2015-10-07 CN disclosed
CN-101003480-B Ethane 1,1,2 - ethyl ester tricarboxylic acid, preparation method, and application as plasticizer JINGGANGSHAN COLLEGE 2010-05-19 CN disclosed
CN-101003480-B Ethane 1,1,2 - ethyl ester tricarboxylic acid, preparation method, and application as plasticizer JINGGANGSHAN COLLEGE 2010-05-19 CN disclosed
CN-101003480-A Ethane 1,1,2 - ethyl ester tricarboxylic acid, preparation method, and application as plasticizer JINGGANGSHAN COLLEGE (CN) 2007-07-25 CN disclosed
CN-101003480-A Ethane 1,1,2 - ethyl ester tricarboxylic acid, preparation method, and application as plasticizer JINGGANGSHAN COLLEGE (CN) 2007-07-25 CN disclosed
CN-1708493-A Selected CGRP antagonists, method for production and use thereof as medicament BOEHRINGER INGELHEIM PHARMA (DE) 2005-12-14 CN disclosed
CN-1708492-A Selected CGRP antagonists, method for production and use thereof as medicament BOEHRINGER INGELHEIM PHARMA (DE) 2005-12-14 CN disclosed
US-5658935-A USEFUL AS INHIBITORS OF THROMBOCYTE AGGREGATION, THE METASTASIS OF CARCINOMA CELLS AND THE BINDING OF OSTEOCLASTS ON BONE SURFACES HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP disclosed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP disclosed
EP-0021883-A2 N-acyl-amino acid derivatives and pharmaceutical compositions containing them, intermediates and starting compounds MERRELL TORAUDE ET COMPAGNIE (FR) 1981-01-07 EP disclosed