SCHEMBL7938217

SCHEMBL7938217

Cc1ccc(S(=O)(=O)OC(C)Cc2ccc(O)c(O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.47
ALOX12 P18054 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HIF1A Q16665 4/20 0.47
HSD17B10 Q99714 4/20 0.47
RECQL P46063 3/20 0.47
MEN1 O00255 3/20 0.47
ESR1 P03372 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 2/20 0.47
IGF1R P08069 2/20 0.47
USP2 O75604 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
HTR2A P28223 2/20 0.47
PTGS2 P35354 2/20 0.47

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
SCHEMBL7938299 1.00 ALOX15 (0.47) ALOX15ALOX12KDM4EHIF1AHSD17B10
SCHEMBL7938214 1.00 ALOX15 (0.47) ALOX15ALOX12KDM4EHIF1AHSD17B10
SCHEMBL7937757 0.80 LMNA (0.51) ALOX15ALOX12ALDH1A1MAPK1LMNA
SCHEMBL7937189 0.80 LMNA (0.51) ALOX15ALOX12ALDH1A1MAPK1LMNA
SCHEMBL7937120 0.80 LMNA (0.51) ALOX15ALOX12ALDH1A1MAPK1LMNA
SCHEMBL8322191 0.80 GAA (0.50) MEN1KMT2AALDH1A1CYP3A4LMNA
SCHEMBL8187178 0.80 GAA (0.50) MEN1KMT2AALDH1A1CYP3A4LMNA
SCHEMBL8206560 0.80 GAA (0.50) MEN1KMT2AALDH1A1CYP3A4LMNA
SCHEMBL7935280 0.80 ALOX15 (0.56) ALOX15ALOX12KDM4EHIF1AHSD17B10
SCHEMBL7935133 0.80 ALOX15 (0.56) ALOX15ALOX12KDM4EHIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248573-B1 SULFONYLATING OR HALOGENATING A (S)-1-PHENYL-2-PROPANOL DERIVATIVE TO PRODUCE (S)-1-PHENYL-2-SUBSTITUTED PROPANE DERIVATIVE; CHEMICAL INTERMEDIATE FOR SYNTHESIS OF ANTIOBESITY DRUG DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
US-5902900-A OPTICAL PURITY, USE AS ANTI-OBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-11 US disclosed
US-5679557-A Process of asymmetrically reducing 1-phenyl-2-oxo-propane derivatives with microorganisms DAICEL CHEMICAL INDUSTRIES, LIMITED (JP) 1997-10-21 US disclosed
EP-0627397-B1 Optically active 1-phenyl-2-substituted propane derivatives and methods of producing the same DAICEL CHEM (JP) 1997-01-02 EP disclosed
US-5508461-A ANTIOBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-16 US disclosed
EP-0627397-A1 Optically active 1-phenyl-2-substituted propane derivatives and methods of producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP disclosed