SCHEMBL7928980

SCHEMBL7928980

Cc1ccc(S(=O)(=O)O[C@H](C)Cc2ccc3c(c2)OC(C)(C)O3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CNR2 P34972 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
CYP24A1 Q07973 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 2/20 0.33
EPAS1 Q99814 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
KIF11 P52732 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
PTPN1 P18031 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7928983 1.00 ALOX15 (0.46) ALOX15ALOX12CNR2SMN1; SMN2CYP24A1
SCHEMBL7940402 1.00 ALOX15 (0.46) ALOX15ALOX12CNR2SMN1; SMN2CYP24A1
SCHEMBL25533461 0.89 ALOX15 (0.35) ALOX15ALOX12CNR2SMN1; SMN2CYP24A1
SCHEMBL7937093 0.88 ADRB2 (0.42) ALOX15ALOX12SMN1; SMN2CYP24A1HTT
SCHEMBL8431879 0.85 SMN1; SMN2 (0.45) ALOX15ALOX12CNR2SMN1; SMN2CYP24A1
SCHEMBL7938209 0.85 HTT (0.39) ALOX15ALOX12SMN1; SMN2CYP24A1HTT
SCHEMBL7938203 0.85 HTT (0.39) ALOX15ALOX12SMN1; SMN2CYP24A1HTT
SCHEMBL7940499 0.85 HTT (0.39) ALOX15ALOX12SMN1; SMN2CYP24A1HTT
SCHEMBL8431894 0.84 POLB (0.36) ALOX15ALOX12SMN1; SMN2LMNAHTT
SCHEMBL7938308 0.82 ALOX15 (0.52) ALOX15ALOX12SMN1; SMN2HIF1AEPAS1

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