SCHEMBL7033015

SCHEMBL7033015

CC(C)(C)c1ccc(S(=O)(=O)CCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.58
ALDH1A1 P00352 5/20 0.53
CA1 P00915 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 1/20 0.51
RECQL P46063 1/20 0.49
UQCRB P14927 1/20 0.44
IKBKB O14920 1/20 0.43
LOX P28300 1/20 0.43
HCRTR2 O43614 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL9325260 0.83 CA2 (0.78) CA2ALDH1A1LMNALOXCYP3A4
SCHEMBL18531400 0.82 ALDH1A1 (0.54) CA2ALDH1A1CA1NPC1RAB9A
SCHEMBL9813465 0.82 ALDH1A1 (0.48) CA2ALDH1A1CA1NPC1RAB9A
SCHEMBL12062117 0.81 CA2 (0.56) CA2ALDH1A1CA1NPC1RAB9A
SCHEMBL7033893 0.81 ALDH1A1 (0.53) CA2ALDH1A1CA1NPC1RAB9A
SCHEMBL18503868 0.80 HTT (0.61) CA2ALDH1A1CA1NPC1RAB9A
SCHEMBL3256579 0.79 ALDH1A1 (0.59) CA2ALDH1A1CA1NPC1RAB9A
SCHEMBL9906397 0.79 ALDH1A1 (0.59) CA2ALDH1A1CA1NPC1RAB9A
SCHEMBL11779353 0.79 ALDH1A1 (0.48) CA2ALDH1A1CA1NPC1RAB9A
SCHEMBL13483410 0.79 HDAC8 (0.45) CA2ALDH1A1CA1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841323-B1 Method for producing arylvinylsulfone SUMITOMO CHEMICAL CO (JP) 2003-03-05 EP disclosed
US-6201131-B1 REACTING A 2-(ARYLSUFONYL) ETHANOL DERIVATIVE WITH AN ACID ANHYDRIDE IN PRESENCE OF A BASE, FURTHER REACTING THIS WITH AN AROMATIC HALIDE IN THE PRESENCE OF A PALLADIUM CATALYST; USEFUL AS INTERMEDIATES TO DRUGS, AGROCHEMICALS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-13 US disclosed
US-5902905-A Method for producing arylvinylsulfone SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-05-11 US disclosed
EP-0841323-A2 Method for producing arylvinylsulfone SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-05-13 EP disclosed