SCHEMBL8896727

SCHEMBL8896727

CC(C)CCCC(NS(=O)(=O)c1ccc(F)cc1)c1ccc(CCCC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
GFER P55789 1/20 0.42
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP13 P45452 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
EEF2K O00418 2/20 0.41
ADAMTS4 O75173 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP14 P50281 1/20 0.40

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
SCHEMBL8897965 0.98 NPSR1 (0.51) NPSR1ALDH1A1LMNAATML3MBTL1
SCHEMBL8895613 0.95 NPSR1 (0.52) NPSR1ALDH1A1LMNAATML3MBTL1
SCHEMBL8895062 0.91 FFAR1 (0.50) NPSR1ALDH1A1LMNAATML3MBTL1
SCHEMBL8895766 0.90 NPSR1 (0.51) NPSR1ALDH1A1LMNAATML3MBTL1
SCHEMBL8419550 0.90 NPSR1 (0.47) NPSR1ALDH1A1LMNAATML3MBTL1
SCHEMBL8895525 0.90 SIGMAR1 (0.41) NPSR1ALDH1A1ATML3MBTL1SIGMAR1
SCHEMBL8896796 0.90 FFAR1 (0.49) NPSR1ALDH1A1LMNAATML3MBTL1
SCHEMBL8896330 0.90 NPSR1 (0.51) NPSR1ALDH1A1ATML3MBTL1MMP2
SCHEMBL8419341 0.90 NPSR1 (0.51) NPSR1ALDH1A1ATML3MBTL1MMP2
SCHEMBL8897652 0.89 NPSR1 (0.47) NPSR1ALDH1A1LMNAATML3MBTL1

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