SCHEMBL11544962

SCHEMBL11544962

O=C(O)COc1ccc(CCCS)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.53
FFAR1 O14842 3/20 0.51
ALDH1A1 P00352 2/20 0.50
PPARA Q07869 2/20 0.50
TBXAS1 P24557 2/20 0.50
PPARD Q03181 2/20 0.50
TBXA2R P21731 1/20 0.50
PTGIR P43119 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
PTPN7 P35236 1/20 0.47
KMT2A Q03164 1/20 0.47
PTPN12 Q05209 1/20 0.47
PPARG P37231 2/20 0.46

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
SCHEMBL7632499 0.84 LTA4H (0.60) ALOX15FFAR1ALDH1A1PPARATBXAS1
SCHEMBL12611895 0.83 ALDH1A1 (0.61) ALOX15ALDH1A1PPARASMN1; SMN2PPARG
SCHEMBL11332779 0.83 ALOX15 (0.53) ALOX15FFAR1ALDH1A1PPARATBXAS1
Hydrochloric Acid SCHEMBL3179439 0.81 ALOX15 (0.52) ALOX15FFAR1ALDH1A1PPARATBXAS1
SCHEMBL2054507 0.81 PPARA (0.67) ALDH1A1PPARAPPARG
SCHEMBL2439826 0.80 ALOX15 (0.59) ALOX15FFAR1ALDH1A1PPARATBXAS1
SCHEMBL28669666 0.80 ALOX15 (0.70) ALOX15FFAR1ALDH1A1PPARATBXAS1
SCHEMBL8849741 0.80 FFAR1 (0.67) ALOX15FFAR1
SCHEMBL4001417 0.80 PPARA (0.69) ALDH1A1PPARAPPARG
SCHEMBL446792 0.80 PPARA (0.69) ALDH1A1PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4180672-A 2-Organothio-2-cyclopentenones, organothio-cyclopentanes derived therefrom TEIJIN LIMITED (JP) 1979-12-25 US disclosed