SCHEMBL8767340

SCHEMBL8767340

Nc1ccccc1CCS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
GAA P10253 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP2C9 P11712 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
TTR P02766 1/20 0.36
CYP2D6 P10635 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
CYP3A4 P08684 2/20 0.35
LMNA P02545 2/20 0.35
BLM P54132 2/20 0.35
KDM4E B2RXH2 1/20 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
SCHEMBL11285123 0.89 MGLL (0.40) FDPSGAACA12CA1CA2
SCHEMBL27700317 0.87 MGLL (0.46) FDPSGAACA12CA1CA2
SCHEMBL11585569 0.83 GAA (0.41) FDPSGAACA12CA1CA2
SCHEMBL11037516 0.83 TTR (0.37) FDPSGAACA12CA1CA2
SCHEMBL9009728 0.80 MGLL (0.46) FDPSGAACA12CA1CA2
Sulfuric Acid SCHEMBL7093205 0.80 FDPS (0.41) FDPSGAACA12CA1CA2
SCHEMBL9177470 0.79 FDPS (0.38) FDPSGAACA12CA1CA2
SCHEMBL30010447 0.79 FDPS (0.43) FDPSGAACA12CA1CA2
SCHEMBL7049241 0.79 FDPS (0.43) FDPSGAACA12CA1CA2
SCHEMBL10976350 0.78 MGLL (0.56) CA12CA1CA2CA9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4065255-A HUMAN HAIR L'OREAL (FR) 1977-12-27 US claimed
EP-0659175-B1 OPTICALLY ACTIVE ALKYLAMMONIUM (AMINO-3 PHENYL)-1 ETHANESULFONATE DERIVATIVES, PREPARATION AND USE THEREOF RHONE POULENC RORER SA (FR) 1997-08-13 EP disclosed
US-5625066-A Optically active hydroquinine (amino-3 phenyl)-1 ethanesulfonate, preparation and use thereof RHONE-POULENC RORER S.A. (FR) 1997-04-29 US disclosed
US-5625066-A Optically active hydroquinine (amino-3 phenyl)-1 ethanesulfonate, preparation and use thereof RHONE-POULENC RORER S.A. (FR) 1997-04-29 US disclosed
US-5523469-A REACTING ALKALI METAL SULFITE ON 1-(1-BROMOETHYL)-3-NITROBENZENE; CONVERSION TO POTASSIUM SALT; CONVERSION TO BENZYLQUINIUM SALT; THEN QUATERNIZATION RHONE-POULENC RORER S.A. (FR) 1996-06-04 US disclosed
EP-0659184-B1 OPTICALLY ACTIVE HYDROQUININE (AMINO-3 PHENYL)-1 ETHANESULFONATE, PREPARATION AND USE THEREOF RHONE POULENC RORER SA (FR) 1996-02-28 EP disclosed
EP-0659175-A1 OPTICALLY ACTIVE ALKYLAMMONIUM (AMINO-3 PHENYL)-1 ETHANESULFONATE DERIVATIVES, PREPARATION AND USE THEREOF. RHONE POULENC RORER SA (FR) 1995-06-28 EP disclosed
EP-0659184-A1 OPTICALLY ACTIVE HYDROQUININE (AMINO-3 PHENYL)-1 ETHANESULFONATE, PREPARATION AND USE THEREOF. RHONE POULENC RORER SA (FR) 1995-06-28 EP disclosed
WO-1994006792-A1 OPTICALLY ACTIVE HYDROQUININE (AMINO-3 PHENYL)-1 ETHANESULFONATE, PREPARATION AND USE THEREOF RHONE-POULENC RORER S.A. (FR) 1994-03-31 WO disclosed
WO-1994006760-A1 OPTICALLY ACTIVE ALKYLAMMONIUM (AMINO-3 PHENYL)-1 ETHANESULFONATE DERIVATIVES, PREPARATION AND USE THEREOF RHONE-POULENC RORER S.A. (FR) 1994-03-31 WO disclosed
US-4652634-A Water-soluble monoazo compounds containing a N-(sulfoalkyl)-aniline coupling component and a fiber-reactive group of the vinylsulfonyl series in the phenyl or benzothiazole diazo component, suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-24 US disclosed
US-4473374-A Nitrated coupler compounds useful in direct dyeing and simultaneous oxidation and direct dyeing of keratinic fibers SOCIETE ANONYME DITE: L'OREAL (FR) 1984-09-25 US disclosed
US-4430259-A Water-soluble disazo compounds suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-07 US disclosed
US-4330291-A Nitrated coupler compounds useful in direct dyeing and simultaneous oxidation and direct dyeing of keratinic fibers SOCIETE ANONYME DITE: L'OREAL (FR) 1982-05-18 US disclosed