SCHEMBL7068639

SCHEMBL7068639

CCCCCCCS(=O)(=O)NC1CC(C)(C)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
CNR2 P34972 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
MMP8 P22894 2/20 0.35
MMP3 P08254 1/20 0.35
PTPN1 P18031 1/20 0.35
HCRTR2 O43614 2/20 0.35

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
SCHEMBL6936636 0.85 TRPV1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10719795 0.70 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6932378 0.69 CNR2 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31231454 0.68 TRPV1 (0.47) CNR2ALDH1A1
SCHEMBL10720538 0.64 KMT2A (0.41) ALDH1A1HCRTR2
SCHEMBL6559509 0.64 TRPV1 (0.45) ALDH1A1
SCHEMBL21316483 0.63 FAAH (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22363303 0.63 FAAH (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1679043 0.63 FAAH (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5069785 0.63 PSEN1 (0.92) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915087-B1 Sulfonamide substituted fused five-membered ring compounds, their use as medicaments as well as pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2003-04-02 EP disclosed