SCHEMBL8604697

SCHEMBL8604697

CCCC(c1cc[nH]c1)S(=O)(=O)O.[NaH]

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30

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
SCHEMBL1607999 0.98 CHRM1 (0.31) CA1CA2CHRM1AKR1A1CHRM3
SCHEMBL1606881 0.89 CYP1A2 (0.36) CA1CA2
SCHEMBL1607859 0.85 SRC (0.32)
SCHEMBL3141262 0.74 SRC (0.50) CA1CA2CHRM1AKR1A1CHRM3
SCHEMBL1606996 0.72 ALDH1A1 (0.31) TDP1
SCHEMBL3139379 0.71 SLC6A3 (0.38) CA1CA2CHRM1AKR1A1CHRM3
SCHEMBL9650409 0.71 CHRM1 (0.33) CA1CA2CHRM1AKR1A1CHRM3
SCHEMBL3129668 0.71 FPR2 (0.41) CA1CA2SLC6A3MMP2MMP9
SCHEMBL3139482 0.71 ALDH1A1 (0.41) SLC6A3HDAC1HDAC2
SCHEMBL3129710 0.71 MMP2 (0.48) HTR2AADRA1ASLC6A3MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0459255-B1 Method for suppression of electrification HITACHI LTD (JP) 1998-03-18 EP disclosed
US-5589270-A Processed substrate obtained by a process for effecting suppression of electrification HITACHI, LTD. (JP) 1996-12-31 US disclosed
US-5437893-A Method for suppression of electrification HITACHI, LTD (JP) 1995-08-01 US disclosed
US-5256454-A Method for suppression of electrification HITACHI, LTD. (JP) 1993-10-26 US disclosed
EP-0459255-A2 Method for suppression of electrification HITACHI, LTD. (JP) 1991-12-04 EP disclosed