SCHEMBL8895597

SCHEMBL8895597

COC(=O)CCCc1ccc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
POLB P06746 3/20 0.53
MMP2 P08253 5/20 0.52
MMP9 P14780 4/20 0.52
PLAAT3 P53816 1/20 0.49
PLAAT5 Q96KN8 1/20 0.49
PLAAT2 Q9NWW9 1/20 0.49
PLAAT4 Q9UL19 1/20 0.49
KMT2A Q03164 1/20 0.48
MMP1 P03956 3/20 0.46
MMP3 P08254 2/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
MMP13 P45452 2/20 0.46
MMP8 P22894 1/20 0.45
MMP14 P50281 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
SCHEMBL8896997 0.93 ALDH1A1 (0.54) ALDH1A1POLBMMP2MMP9PLAAT3
SCHEMBL8895584 0.93 ALDH1A1 (0.46) ALDH1A1POLBMMP2MMP9MMP13
SCHEMBL8895761 0.91 ALDH1A1 (0.49) ALDH1A1POLBMMP2MMP9KMT2A
SCHEMBL8894760 0.91 ALDH1A1 (0.48) ALDH1A1MMP9PLAAT3PLAAT5PLAAT2
SCHEMBL8895500 0.90 IDO1 (0.50) ALDH1A1POLBMMP2MMP9PLAAT3
SCHEMBL8896474 0.90 ADAMTS5 (0.49) ALDH1A1MMP2
SCHEMBL8896413 0.90 ALDH1A1 (0.45) ALDH1A1MMP2MMP9KMT2AMMP8
SCHEMBL8896241 0.87 ADAMTS5 (0.48) ALDH1A1MMP2
SCHEMBL8895471 0.85 NPSR1 (0.44) ALDH1A1MMP2
SCHEMBL8896373 0.85 ALDH1A1 (0.49) ALDH1A1POLBMMP2MMP9MMP13

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
US-5597848-A PLATELET AGGREGATION INHIBITORS, ANTITHROMBOTIC AGENTS, ANTIASTHMATIC AGENTS, ANTIALLERGIC AGENTS HOKURIKU SEIYAKU CO., LTD. (JP) 1997-01-28 US disclosed
EP-0663392-A1 BENZENESULFONAMIDE DERIVATIVE AND USE THEREOF HOKURIKU SEIYAKU CO., LTD. (JP) 1995-07-19 EP disclosed