SCHEMBL1189460

SCHEMBL1189460

CCCCOC(C)(OCCCC)OC(C)OC(C)OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TSHR P16473 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 3/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN11 Q06124 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA2 P00918 1/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35

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
SCHEMBL6561331 0.96 ALDH1A1 (0.56) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6562485 0.96 ALDH1A1 (0.56) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6560952 0.96 ALDH1A1 (0.56) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL3667886 0.94 ALDH1A1 (0.55) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6561120 0.90 ALDH1A1 (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6561288 0.90 ALDH1A1 (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6561267 0.90 ALDH1A1 (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL17698432 0.83 ALDH1A1 (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28540372 0.82 PLA2G4B (0.40) TSHRTP53KMT2APTPN11
SCHEMBL6027278 0.82 ALDH1A1 (0.50) ALDH1A1TSHRTDP1L3MBTL1LMNA

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-2139828-B1 GAS-GENERATING PYROTECHNIC COMPOUND AND PRODUCTION PROCESS. SME (FR) 2011-10-05 EP claimed
US-20110041969-A1 GAS-GENERATING PYROTECHNIC COMPOUND AND PRODUCTION PROCESS SNPE MATERIAUX ENERGETIQUES (FR) 2011-02-24 US claimed
US-20110041969-A1 GAS-GENERATING PYROTECHNIC COMPOUND AND PRODUCTION PROCESS SNPE MATERIAUX ENERGETIQUES (FR) 2011-02-24 US disclosed