SCHEMBL7901795

SCHEMBL7901795

C=CCCCCCCCCC(=O)Oc1ccc([S+](C)C)cc1.COS(=O)(=O)[O-]

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 6/20 0.40
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 1/20 0.38
EGFR P00533 3/20 0.37
ERBB2 P04626 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
ABCC4 O15439 1/20 0.33
MEN1 O00255 2/20 0.33
SLC22A2 O15244 1/20 0.33
TMPRSS2 O15393 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
F12 P00748 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33

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
SCHEMBL7903508 0.87 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMAPTHSD17B10
SCHEMBL10521222 0.86 KMT2A (0.48) ALDH1A1LMNAKMT2AMAPTHSD17B10
SCHEMBL9407113 0.86 KMT2A (0.48) ALDH1A1LMNAKMT2AMAPTHSD17B10
SCHEMBL6511218 0.84 ZDHHC2 (0.38) ALDH1A1LMNAKMT2AMAPTHSD17B10
SCHEMBL9647538 0.83 KMT2A (0.43) ALDH1A1LMNAKMT2AMAPTHSD17B10
SCHEMBL5705981 0.82 KMT2A (0.47) ALDH1A1LMNAKMT2AMAPTHSD17B10
SCHEMBL6514850 0.80 KMT2A (0.36) ALDH1A1LMNAKMT2AMAPTHSD17B10
SCHEMBL8934451 0.78 KMT2A (0.48) ALDH1A1LMNAKMT2AMAPTHSD17B10
SCHEMBL9487568 0.78 THRB (0.44) ALDH1A1LMNAKMT2AMAPTHSD17B10
SCHEMBL5705986 0.77 KMT2A (0.47) ALDH1A1LMNAKMT2AMAPTHSD17B10

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
US-6238541-B1 ADHESION; CORROSION RESISTANCE; SURFACE TREATMENT NIPPON PAINT CO., LTD. (JP) 2001-05-29 US disclosed