SCHEMBL7362430

SCHEMBL7362430

CC(C)CC(Cc1ccccc1)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.40
SIGMAR1 Q99720 4/20 0.40
SLC6A2 P23975 2/20 0.40
MAOA P21397 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
SLC18A2 Q05940 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
MMP1 P03956 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPA1 O75762 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
FCER2 P06734 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
SCHEMBL5651198 0.79 ANPEP (0.44)
SCHEMBL5647796 0.79 TRPA1 (0.43) HPGDTRPA1
SCHEMBL131911 0.77 ALOX5 (0.37) HPGDLMNAL3MBTL1
SCHEMBL9880970 0.76 SLC6A2 (0.41) TAAR1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL7277764 0.75 MIF (0.53) HPGD
SCHEMBL4752124 0.74 MTNR1A (0.50) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL8801566 0.73 SLC6A2 (0.48) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL8801211 0.73 TRPA1 (0.46) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL8309560 0.73 TSHR (0.44) CYP2D6HPGDMMP1LMNA
SCHEMBL3906596 0.73 SLC5A2 (0.52) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722321-A4 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS UNIV FLORIDA STATE (US) 1998-04-15 EP disclosed
EP-0722321-A1 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1996-07-24 EP disclosed
WO-1995009620-A1 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1995-04-13 WO disclosed