SCHEMBL9813754

SCHEMBL9813754

O=C(O)COc1ccc(CCCS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.55
TBXAS1 P24557 1/20 0.55
ALDH1A1 P00352 1/20 0.52
FFAR1 O14842 3/20 0.51
MMP12 P39900 2/20 0.51
MMP13 P45452 2/20 0.51
PPARD Q03181 2/20 0.51
PPARG P37231 1/20 0.51
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
MMP2 P08253 2/20 0.49
MMP14 P50281 2/20 0.49
MMP7 P09237 1/20 0.49
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
MMP8 P22894 1/20 0.48

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
SCHEMBL9813734 0.92 TBXA2R (0.64) TBXA2RTBXAS1ALDH1A1FFAR1PPARD
SCHEMBL9768486 0.86 PTGIR (0.55) TBXA2RTBXAS1ALDH1A1PPARGPSEN1
SCHEMBL9813773 0.85 TBXA2R (0.65) TBXA2RTBXAS1ALDH1A1FFAR1MMP12
SCHEMBL9813770 0.82 PTGIR (0.54) TBXA2RTBXAS1ALDH1A1PSEN1PSEN2
SCHEMBL422442 0.78 ALOX15 (0.76) ALDH1A1FFAR1PPARDPPARGALOX15
SCHEMBL9813836 0.78 ALDH1A1 (0.53) TBXA2RTBXAS1ALDH1A1FFAR1PPARD
SCHEMBL9813851 0.78 PPARA (0.62) TBXA2RTBXAS1FFAR1PPARGHDAC1
SCHEMBL4530835 0.76 PPARD (0.77) FFAR1MMP12PPARDPPARGMMP2
SCHEMBL28669666 0.75 ALOX15 (0.70) TBXA2RTBXAS1ALDH1A1FFAR1PPARD
SCHEMBL9768506 0.75 SGMS1 (0.58) TBXA2RTBXAS1ALDH1A1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301421-B1 SULFUR COMPOUNDS, PROCESS FOR THEIR PREPARATION AND MEDICINES Roche Diagnostics GmbH (DE) 1991-08-28 EP disclosed
EP-0301421-A2 Sulfur compounds, process for their preparation and medicines Roche Diagnostics GmbH (DE) 1989-02-01 EP disclosed