SCHEMBL7935120

SCHEMBL7935120

CC(Br)Cc1ccc2c(c1)OC(C(=O)O)(C(=O)O)O2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.51
ADRB3 P13945 3/20 0.51
ADRB1 P08588 1/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
ALOX15 P16050 3/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TAAR1 Q96RJ0 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36

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
SCHEMBL17373184 0.88 ADRB3 (0.53) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL8429918 0.87 ALOX15 (0.53) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL7937166 0.86 ADRB2 (0.55) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL7937837 0.86 ADRB2 (0.43) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL7929037 0.86 ADRB2 (0.43) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL7929039 0.86 ADRB2 (0.43) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL9059833 0.85 ADRB2 (0.51) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL8733806 0.85 ADRB2 (0.54) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL7935102 0.85 ADRB2 (0.54) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL9059839 0.85 ADRB2 (0.51) 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