SCHEMBL9162707

SCHEMBL9162707

C=CC(=O)OCC(O)CC(C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.56
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 2/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
HSD17B10 Q99714 1/20 0.37
FOLH1 Q04609 2/20 0.34
NAALAD2 Q9Y3Q0 2/20 0.34
ENPEP Q07075 2/20 0.34
MAPK1 P28482 1/20 0.34
THRB P10828 2/20 0.33

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
SCHEMBL27675531 0.85 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDSMN1; SMN2
SCHEMBL19185258 0.84 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDSMN1; SMN2
SCHEMBL2524719 0.83 TSHR (0.67) TSHRALDH1A1CYP3A4HPGDSMN1; SMN2
SCHEMBL28189984 0.82 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDSMN1; SMN2
SCHEMBL25784960 0.81 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDSMN1; SMN2
SCHEMBL28109920 0.79 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDSMN1; SMN2
SCHEMBL95157 0.79 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDSMN1; SMN2
Lactic Acid SCHEMBL27633856 0.78 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDSMN1; SMN2
SCHEMBL27962382 0.78 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDSMN1; SMN2
SCHEMBL3404229 0.78 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272215-B1 Process for obtaining images CIBA GEIGY AG (CH) 1995-03-08 EP disclosed
EP-0214930-B1 FORMED COMPOSITE ARTICLE CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed
EP-0151372-B1 IMAGE PRODUCTION CIBA-GEIGY AG (CH) 1990-10-31 EP disclosed
EP-0146505-B1 IMAGE FORMATION PROCESS CIBA-GEIGY AG (CH) 1990-04-04 EP disclosed
EP-0272215-A2 Process for obtaining images CIBA-GEIGY AG (CH) 1988-06-22 EP disclosed
EP-0164314-B1 SULFOXONIUM SALTS CIBA-GEIGY AG (CH) 1988-01-13 EP disclosed
EP-0214930-A2 Formed composite article CIBA-GEIGY AG (CH) 1987-03-18 EP disclosed
EP-0207893-A2 Image-forming process CIBA-GEIGY AG (CH) 1987-01-07 EP disclosed
EP-0164314-A2 Sulfoxonium salts CIBA-GEIGY AG (CH) 1985-12-11 EP disclosed
EP-0151372-A2 Image production CIBA-GEIGY AG (CH) 1985-08-14 EP disclosed
EP-0146505-A2 Image formation process CIBA-GEIGY AG (CH) 1985-06-26 EP disclosed
EP-0119959-A1 Process for producing images CIBA-GEIGY AG (CH) 1984-09-26 EP disclosed