SCHEMBL7937093

SCHEMBL7937093

Cc1ccc(S(=O)(=O)OC(C)Cc2ccc3c(c2)OC(C(=O)O)(C(=O)O)O3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.42
ADRB3 P13945 3/20 0.42
ADRB1 P08588 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALOX15 P16050 3/20 0.37
ALOX12 P18054 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
POLB P06746 2/20 0.35

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
SCHEMBL8431879 0.92 SMN1; SMN2 (0.45) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL7938203 0.91 HTT (0.39) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL7938209 0.91 HTT (0.39) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL7940499 0.91 HTT (0.39) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL8431894 0.91 POLB (0.36) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL7928983 0.88 ALOX15 (0.46) HTTSMN1; SMN2ALOX15ALOX12ALDH1A1
SCHEMBL7940402 0.88 ALOX15 (0.46) HTTSMN1; SMN2ALOX15ALOX12ALDH1A1
SCHEMBL7928980 0.88 ALOX15 (0.46) HTTSMN1; SMN2ALOX15ALOX12ALDH1A1
SCHEMBL25533461 0.87 ALOX15 (0.35) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL7940469 0.83 ADRB2 (0.47) ADRB2ADRB3ADRB1ADRA2AADRA2B

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