SCHEMBL11123745

SCHEMBL11123745

C=C(CCSCCC(=C)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
GRM1 Q13255 1/20 0.41
GRM2 Q14416 1/20 0.41
TET2 Q6N021 5/20 0.37
TET3 O43151 1/20 0.37
TET1 Q8NFU7 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.33
BHMT Q93088 2/20 0.32
TBXAS1 P24557 1/20 0.32
GAA P10253 1/20 0.31
CYP2C19 P33261 1/20 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
SCHEMBL4276502 0.85 TSHR (0.50) HSD17B10LMNAKMT2ATDP1GRIK1
SCHEMBL11604256 0.85 HSD17B10 (0.42) HSD17B10LMNAKMT2ATDP1ALOX15
SCHEMBL2679208 0.83 TSHR (0.55) HSD17B10LMNAKMT2ATDP1GRIK1
SCHEMBL11652342 0.82 ALOX5 (0.40) HSD17B10LMNAKMT2ATDP1GRIK1
SCHEMBL7062182 0.82 THRB (0.53) HSD17B10KMT2ATDP1ALOX15TSHR
SCHEMBL8769768 0.82 THRB (0.53) HSD17B10KMT2ATDP1ALOX15TSHR
SCHEMBL9453791 0.80 LMNA (0.34) HSD17B10LMNAKMT2ATDP1GRIK1
SCHEMBL4415202 0.79
SCHEMBL273086 0.78 TET2 (0.46) HSD17B10LMNAGRIK1GRIK2GRM1
SCHEMBL9983157 0.77 TDP1 (0.42) HSD17B10LMNAKMT2ATDP1TET2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0031593-B1 RADIATION-POLYMERIZABLE COMPOSITION AND RADIATION-SENSIBLE COPYING MATERIAL PRODUCED THEREWITH HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-25 EP disclosed
EP-0031592-B1 PHOTOPOLYMERIZABLE COMPOSITION AND PHOTOPOLYMERIZABLE COPYING MATERIAL PRODUCED THEREWITH HOECHST AKTIENGESELLSCHAFT (DE) 1983-12-07 EP disclosed
US-4327170-A Photopolymerizable unsaturated polyesters and copying material prepared therewith HOECHST AKTIENGESELLSCHAFT (DE) 1982-04-27 US disclosed
US-4322491-A BINDER, PHOTOINITIATOR, AND AN UNSATURATED COMPOUND HOECHST AKTIENGESELLSCHAFT (DE) 1982-03-30 US disclosed
EP-0031593-A1 Radiation-polymerizable composition and radiation-sensible copying material produced therewith HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-08 EP disclosed
EP-0031592-A1 Photopolymerizable composition and photopolymerizable copying material produced therewith HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-08 EP disclosed