SCHEMBL5597833

SCHEMBL5597833

CCOC(=O)C(=O)c1ccccc1CCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
HSD17B10 Q99714 1/20 0.44
GPR35 Q9HC97 1/20 0.43
GAA P10253 3/20 0.42
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DHODH Q02127 1/20 0.41
PLIN1 O60240 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
PLIN5 Q00G26 1/20 0.41
ABHD5 Q8WTS1 1/20 0.41
CYP4F2 P78329 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
SCHEMBL28355498 0.88 TSHR (0.55) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL5597695 0.87 ALDH1A1 (0.53) TSHRALDH1A1HSD17B10GAAL3MBTL1
SCHEMBL5597642 0.84 TSHR (0.55) TSHRMEN1KMT2AALDH1A1HSD17B10
SCHEMBL28637275 0.84 TSHR (0.47) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL8101670 0.83 TSHR (0.50) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL27799475 0.83 TSHR (0.50) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL5597611 0.83 TSHR (0.56) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL3306441 0.83 ALDH1A1 (0.42) TSHRKMT2AALDH1A1HSD17B10HTT
SCHEMBL2825239 0.83 TSHR (0.69) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL5597694 0.83 ALDH1A1 (0.54) TSHRMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765304-B2 METHOD OF PREPARING ALPHA-METHOXYIMINOCARBOXYLIC ACID METHYLAMIDES, AND INTERMEDIATES USED IN THE METHOD BAYER CROPSCIENCE AG (DE) 2007-08-22 EP claimed
CN-1406221-A Process for preparing alpha-ketocarboxylic acid derivatives KOREA RES INST CHEM TECH (KR) 2003-03-26 CN claimed
EP-1097917-B1 Preparing method of alpha-ketocarboxylic acid derivatives KOREA RES INST CHEM TECH (KR) 2003-02-12 EP claimed
EP-1097917-A1 Preparing method of alpha-ketocarboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-05-09 EP claimed
WO-2001030741-A1 PREPARING METHOD OF ALPHA-KETOCARBOXYLIC ACID DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-05-03 WO claimed
US-6124493-A Process for the preparation of o-chloromethyl-phenylglyoxylic acid derivatives NOVARTIS FINANCE CORPORATION (US) 2000-09-26 US disclosed
US-6121476-A Process for preparing dithiocarbonimide derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-19 US disclosed
EP-0811612-B1 Process for preparing dithiocarbonimide derivatives SUMITOMO CHEMICAL CO (JP) 1999-03-03 EP disclosed
US-5756811-A Process for the preparation of o-chloromethyl-phenylglyoxylic acid derivatives NOVARTIS CORPORATION (US) 1998-05-26 US disclosed
CN-1169989-A Process for preparing dithiocarbonimide derivatives SUMITOMO CHEMICAL CO (JP) 1998-01-14 CN disclosed
EP-0811612-A1 Process for preparing dithiocarbonimide derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-12-10 EP disclosed