SCHEMBL8896074

SCHEMBL8896074

CC(C)(C)CCCCC(NS(=O)(=O)c1ccc(Br)cc1)c1ccc(CCCC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
IDO1 P14902 2/20 0.44
ALDH1A1 P00352 3/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.42
MMP2 P08253 5/20 0.42
MMP9 P14780 5/20 0.42
MMP1 P03956 4/20 0.42
MMP3 P08254 4/20 0.42
MMP7 P09237 4/20 0.42
MMP13 P45452 4/20 0.42
EEF2K O00418 1/20 0.41
TBXA2R P21731 2/20 0.38
TBXAS1 P24557 2/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37

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
SCHEMBL8895816 0.98 NPSR1 (0.47) NPSR1IDO1ALDH1A1ATML3MBTL1
SCHEMBL8898122 0.94 NPSR1 (0.47) NPSR1IDO1ALDH1A1ATML3MBTL1
SCHEMBL8895791 0.90 IDO1 (0.48) NPSR1IDO1ALDH1A1ATML3MBTL1
SCHEMBL8896390 0.90 NPSR1 (0.46) NPSR1ALDH1A1ATML3MBTL1MMP2
SCHEMBL8895694 0.90 TBXAS1 (0.47) NPSR1ALDH1A1ATML3MBTL1EEF2K
SCHEMBL8896292 0.89 NPSR1 (0.48) NPSR1IDO1ALDH1A1ATML3MBTL1
SCHEMBL8896179 0.89 NPSR1 (0.51) NPSR1IDO1ALDH1A1ATML3MBTL1
SCHEMBL8898592 0.89 ALDH1A1 (0.48) NPSR1ALDH1A1ATML3MBTL1MMP9
SCHEMBL8896786 0.88 IDO1 (0.49) NPSR1IDO1ALDH1A1ATML3MBTL1
SCHEMBL8895656 0.88 NPSR1 (0.47) NPSR1IDO1ALDH1A1ATML3MBTL1

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