SCHEMBL7938308

SCHEMBL7938308

C[C@H](Cc1ccc2c(c1)OC(C)(C)O2)OS(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.52
ALOX12 P18054 1/20 0.52
KIF11 P52732 1/20 0.37
TSHR P16473 1/20 0.35
PTPN1 P18031 1/20 0.35
ADRB2 P07550 2/20 0.34
ADRB3 P13945 2/20 0.34
ADRB1 P08588 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
TAAR1 Q96RJ0 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
HIF1A Q16665 2/20 0.33
EPAS1 Q99814 2/20 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
SCHEMBL7937108 1.00 ALOX15 (0.52) ALOX15ALOX12KIF11TSHRPTPN1
SCHEMBL7937105 1.00 ALOX15 (0.52) ALOX15ALOX12KIF11TSHRPTPN1
SCHEMBL7940469 0.86 ADRB2 (0.47) ALOX15ALOX12TSHRADRB2ADRB3
SCHEMBL7928980 0.82 ALOX15 (0.46) ALOX15ALOX12KIF11PTPN1HIF1A
SCHEMBL7940402 0.82 ALOX15 (0.46) ALOX15ALOX12KIF11PTPN1HIF1A
SCHEMBL7928983 0.82 ALOX15 (0.46) ALOX15ALOX12KIF11PTPN1HIF1A
SCHEMBL7937833 0.82 ADRB2 (0.41) ALOX15ALOX12TSHRADRB2ADRB3
SCHEMBL7940425 0.82 ADRB2 (0.41) ALOX15ALOX12TSHRADRB2ADRB3
SCHEMBL8433752 0.82 ADRB2 (0.48) ALOX15ALOX12TSHRADRB2ADRB3
SCHEMBL7937832 0.82 ADRB2 (0.41) ALOX15ALOX12TSHRADRB2ADRB3

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
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
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