SCHEMBL10690369

SCHEMBL10690369

C=C(C)OC(=O)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
FFAR3 O14843 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TSHR P16473 4/20 0.34
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 1/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
LGALS8 O00214 1/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL11763114 0.87 TDP1 (0.55) HSD17B10TDP1ALDH1A1MGAMGAA
SCHEMBL967731 0.82 MGAM (0.55) HSD17B10TDP1ALDH1A1MGAMGAA
SCHEMBL28514124 0.81 ALDH1A1 (0.48) HSD17B10TDP1LDHASRRFFAR3
SCHEMBL27216267 0.81 HSD17B10 (0.44) HSD17B10TDP1ALDH1A1MGAMGAA
SCHEMBL7843043 0.79 ALDH1A1 (0.47) HSD17B10TDP1LDHASRRFFAR3
SCHEMBL13386066 0.78 PHF8 (0.46) HSD17B10TDP1FFAR3ALDH1A1TSHR
SCHEMBL819956 0.78 LDHA (0.53) HSD17B10LDHASRRFFAR3ALDH1A1
Acetic Acid SCHEMBL27271320 0.77 ALDH1A1 (0.45) HSD17B10TDP1LDHASRRFFAR3
SCHEMBL9278854 0.77 MGAM (0.55) HSD17B10TDP1LDHASRRFFAR3
SCHEMBL7790120 0.76 HSD17B10 (0.64) HSD17B10TDP1LDHASRRFFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102527292-B Coupling link-free carboxylate Genmini surfactant and synthesis method thereof INST CHEM IND FOREST PROD CAF 2013-11-27 CN claimed
CN-102527292-A Coupling link-free carboxylate Genmini surfactant and synthesis method thereof INST CHEM IND FOREST PROD CAF 2012-07-04 CN claimed
JP-62051645-A None JP disclosed
CN-102527292-B Coupling link-free carboxylate Genmini surfactant and synthesis method thereof INST CHEM IND FOREST PROD CAF 2013-11-27 CN disclosed
CN-102718824-A Fluorine-containing water-soluble platinum complex for cancer treatment and preparation method thereof TIANJIN GUDUI BIOLOG MEDICAL TECHNOLOGY CO LTD 2012-10-10 CN disclosed
CN-102702293-A Water soluble platinum complex for tumor therapy and preparation method of water soluble platinum complex TIANJIN GUDUI BIOLOG MEDICAL TECHNOLOGY CO LTD 2012-10-03 CN disclosed
CN-102527292-A Coupling link-free carboxylate Genmini surfactant and synthesis method thereof INST CHEM IND FOREST PROD CAF 2012-07-04 CN disclosed
CN-102286049-A Water soluble platinum complex for treating tumors and preparation method thereof 2011-12-21 CN disclosed
CN-102276656-A Fluorine contained water-soluble platinum complex for treating tumour and preparation method thereof TIANJIN GUDUI BIOLOG MEDICAL TECHNOLOGY CO LTD 2011-12-14 CN disclosed
US-4720506-A Immunomodulating agent NIPPON SHINYAKU COMPANY, LIMITED (JP) 1988-01-19 US disclosed
EP-0094599-B1 USE OF AMINOPHENYLACETIC ACID DERIVATIVES FOR THE MANUFACTURE OF AN IMMUNOMODULATING MEDICAL PREPARATION MITSUBISHI KASEI CORPORATION (JP) 1987-04-01 EP disclosed
JP-S6251645-A PRODUCTION OF 2-ALKYL-1,3-DIAMINOPROPANE SHIRAI HIROYOSHI 1987-03-06 JP disclosed
EP-0052296-B1 GLUTAMINE DERIVATIVES USABLE FOR CURING IMMUNE DISEASES, METHODS FOR THEIR PREPARATION AND COMPOSITIONS COMPRISING SAID DERIVATIVES MITSUBISHI KASEI CORPORATION (JP) 1984-06-27 EP disclosed
US-4439448-A IMMUNOMODULATING ACTIVITY MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1984-03-27 US disclosed
EP-0094599-A1 Use of aminophenylacetic acid derivatives for the manufacture of an immunomodulating medical preparation MITSUBISHI KASEI CORPORATION (JP) 1983-11-23 EP disclosed
EP-0052296-A1 Glutamine derivatives usable for curing immune diseases, methods for their preparation and compositions comprising said derivatives MITSUBISHI KASEI CORPORATION (JP) 1982-05-26 EP disclosed