SCHEMBL9857101

SCHEMBL9857101

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
LMNA P02545 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 4/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SOAT1 P35610 1/20 0.40
TRPA1 O75762 1/20 0.37
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL15281987 0.83 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10ALOX15KMT2A
SCHEMBL15282179 0.82 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10ALOX15KMT2A
SCHEMBL2460611 0.81 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10ALOX15KMT2A
SCHEMBL15282009 0.79 ALDH1A1 (0.32) ALDH1A1LMNAHSD17B10KMT2AMAPT
SCHEMBL7496761 0.78 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15KMT2A
SCHEMBL1585638 0.78 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15KMT2A
SCHEMBL13035426 0.76 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15KMT2A
SCHEMBL5419183 0.76 ALOX15 (0.42) ALDH1A1LMNAHSD17B10ALOX15MAPT
SCHEMBL4045864 0.76 ALOX15 (0.42) ALDH1A1LMNAHSD17B10ALOX15MAPT
SCHEMBL143815 0.76 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15KMT2A

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
US-4091040-A Procedure for making trimethylolmethane THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1978-05-23 US claimed
CN-112441978-B Preparation method of 1-methyl-5-hydroxypyrazole-4-carboxylic acid ethyl ester 江西天宇化工有限公司 2022-04-26 CN disclosed
CN-112441978-A Preparation method of 1-methyl-5-hydroxypyrazole-4-carboxylic acid ethyl ester 江西天宇化工有限公司 2021-03-05 CN disclosed
EP-0413918-A2 Method for the production of alkoxyalkylidenemalonic acid esters HÜLS AKTIENGESELLSCHAFT (DE) 1991-02-27 EP disclosed
EP-0159599-B1 PROCESS FOR THE PREPARATION OF ALCOXYMETHYLENE COMPOUNDS OF ESTERS OF ACETIC ACID AND SUBSTITUTED ACETIC ACID HÜLS AKTIENGESELLSCHAFT (DE) 1989-08-02 EP disclosed
US-4665218-A Method for the preparation of alkoxymethylene compounds of acetic esters and substituted acetic esters DYNAMIT NOBEL AG (DE) 1987-05-12 US disclosed
EP-0159599-A2 Process for the preparation of alcoxymethylene compounds of esters of acetic acid and substituted acetic acid HÜLS AKTIENGESELLSCHAFT (DE) 1985-10-30 EP disclosed
US-4091040-A Procedure for making trimethylolmethane THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1978-05-23 US disclosed