SCHEMBL9380903

SCHEMBL9380903

CCCCOCCOc1ccc(C(O)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.59
RARA P10276 1/20 0.52
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.49
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
PLA2G4B P0C869 2/20 0.47

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
SCHEMBL9380908 1.00 RARB (0.59) RARBRARALMNAPOLBMMP9
SCHEMBL3685401 0.92 LMNA (0.57) LMNAPOLBMMP9MMP8MMP13
SCHEMBL31558760 0.89 LMNA (0.62) RARBLMNAPOLBMMP9MMP8
SCHEMBL9189425 0.88 LMNA (0.64) RARBLMNAPOLBMMP9MMP8
SCHEMBL9194774 0.88 LMNA (0.64) RARBLMNAPOLBMMP9MMP8
SCHEMBL9191267 0.88 LMNA (0.64) RARBLMNAPOLBMMP9MMP8
SCHEMBL9193732 0.88 LMNA (0.64) RARBLMNAPOLBMMP9MMP8
SCHEMBL9386820 0.87 TDP1 (0.48) RARBLMNAPOLBMMP9MMP8
SCHEMBL9386812 0.87 TDP1 (0.48) RARBLMNAPOLBMMP9MMP8
SCHEMBL3685459 0.86 L3MBTL1 (0.53) LMNAPOLBSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371223-B1 Heterocyclic disperse dye compounds, their production and their use for dyeing or printing hydrophobic fibers SUMITOMO CHEMICAL CO (JP) 1994-12-28 EP disclosed
US-5077416-A BENZODIFURANONE COMPOUNDS USEFUL FOR DYEING OR PRINTING HYDROPHOBIC FIBER MATERIALS AND PROCESS FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO. LTD. (JP) 1991-12-31 US disclosed
EP-0371223-A1 Heterocyclic disperse dye compounds, their production and their use for dyeing or printing hydrophobic fibers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-06-06 EP disclosed