SCHEMBL10401151

SCHEMBL10401151

CCCCCCCCCCCCc1ccc(S(=O)(=O)OCc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
PLK1 P53350 1/20 0.43
PLK3 Q9H4B4 1/20 0.43
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
PTPN1 P18031 1/20 0.39
MAOB P27338 1/20 0.39
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38

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
SCHEMBL244116 0.81 ALDH1A1 (0.49) SIGMAR1ALDH1A1HTTMAOB
SCHEMBL10401228 0.80 TXNRD1 (0.45) ALDH1A1SMN1; SMN2LMNAHTTMAOB
SCHEMBL10400333 0.80 TXNRD1 (0.45) ALDH1A1SMN1; SMN2LMNAHTTMAOB
SCHEMBL59186 0.80 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTMAOBACHE
SCHEMBL6885174 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAHTTMAOB
SCHEMBL30668793 0.78 ALDH1A1 (0.55) SIGMAR1ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL6398343 0.78 ALDH1A1 (0.55) SIGMAR1ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL6686635 0.78 ALDH1A1 (0.55) SIGMAR1ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL28031451 0.78 ALDH1A1 (0.55) SIGMAR1ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL29350218 0.78 ALDH1A1 (0.55) SIGMAR1ALDH1A1SMN1; SMN2LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4478967-A Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-10-23 US claimed
US-4980096-A Protective coatings; adhesives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-12-25 US disclosed
US-4740600-A UNBLOCKING WITH ACTINIC RADIATION; PROTECTIVE COATING; THERMOPLASTIC RESIN MIXTURES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-04-26 US disclosed
US-4599273-A PROTECTIVE COATINGS, PRESSURE SENSITIVE ADHESIVES MINNESOTA MINING AND MANUFACTURING CO. (US) 1986-07-08 US disclosed
EP-0046083-B1 PHOTOLABILE BLOCKED SURFACTANTS AND COMPOSITIONS CONTAINING THE SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-10-16 EP disclosed
US-4478967-A Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-10-23 US disclosed
EP-0046083-A2 Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-02-17 EP disclosed