SCHEMBL7813482

SCHEMBL7813482

O=C(O)CS(=O)(=O)c1ccc(Sc2ccc(S(=O)(=O)CC(=O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.61
MMP7 P09237 1/20 0.61
MMP14 P50281 1/20 0.61
MMP13 P45452 5/20 0.49
MMP3 P08254 1/20 0.49
MMP8 P22894 1/20 0.49
MMP1 P03956 1/20 0.47
FFAR1 O14842 1/20 0.45

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
SCHEMBL1981537 0.79 MMP2 (0.66) MMP2MMP7MMP14FFAR1
SCHEMBL270706 0.79 MMP2 (0.77) MMP2MMP7MMP14
SCHEMBL5679198 0.78 MMP2 (0.63) MMP2MMP7MMP14
SCHEMBL3671530 0.78 NPC1 (0.69) MMP2MMP7MMP14
SCHEMBL10803103 0.78 MMP2 (0.63) MMP2MMP7MMP14FFAR1
SCHEMBL3289731 0.78 MMP2 (0.63) MMP2MMP7MMP14FFAR1
SCHEMBL10203496 0.78 MMP2 (0.63) MMP2MMP7MMP14FFAR1
SCHEMBL924405 0.78 ALDH1A1 (0.69) MMP2MMP7MMP14FFAR1
SCHEMBL7900689 0.78 MMP2 (0.63) MMP2MMP7MMP14MMP13MMP3
Ammonia Solution, Strong SCHEMBL20473392 0.77 MMP2 (0.74) MMP2MMP7MMP14

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed