SCHEMBL7935280

SCHEMBL7935280

C[C@@H](Cc1ccc(O)c(O)c1)OS(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 0.56
ALOX12 P18054 7/20 0.56
KDM4E B2RXH2 4/20 0.56
HIF1A Q16665 4/20 0.56
HSD17B10 Q99714 4/20 0.56
RECQL P46063 3/20 0.56
HPGD P15428 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.56
ESR1 P03372 2/20 0.56
TP53 P04637 2/20 0.56
CYP3A4 P08684 2/20 0.56
MAPK1 P28482 2/20 0.56
KMT2A Q03164 2/20 0.56
USP2 O75604 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
HTR2A P28223 2/20 0.56
PTGS2 P35354 2/20 0.56
LMNA P02545 2/20 0.56

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
SCHEMBL7935133 1.00 ALOX15 (0.56) ALOX15ALOX12KDM4EHIF1AHSD17B10
SCHEMBL7935135 1.00 ALOX15 (0.56) ALOX15ALOX12KDM4EHIF1AHSD17B10
SCHEMBL7938299 0.80 ALOX15 (0.47) ALOX15ALOX12KDM4EHIF1AHSD17B10
SCHEMBL7938217 0.80 ALOX15 (0.47) ALOX15ALOX12KDM4EHIF1AHSD17B10
SCHEMBL7938214 0.80 ALOX15 (0.47) ALOX15ALOX12KDM4EHIF1AHSD17B10
SCHEMBL11042068 0.79 PSMB5 (0.38) TDP1ALDH1A1LMNAPOLB
SCHEMBL26492419 0.78 ALOX15 (0.61) ALOX15ALOX12KDM4EHIF1AHSD17B10
SCHEMBL19354481 0.78 ALOX15 (0.66) ALOX15ALOX12KDM4EHIF1AHSD17B10
SCHEMBL7937788 0.76 LDHA (0.58) ALOX15ALOX12KDM4EKMT2ALMNA
SCHEMBL7937790 0.76 LDHA (0.58) ALOX15ALOX12KDM4EKMT2ALMNA

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