SCHEMBL7937853

SCHEMBL7937853

C[C@H](Br)Cc1ccc2c(c1)OC(C)(C)O2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.61
ALOX12 P18054 1/20 0.61
TSHR P16473 1/20 0.43
TAAR1 Q96RJ0 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KIF11 P52732 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADRB2 P07550 2/20 0.34
ADRB3 P13945 2/20 0.34
ADRB1 P08588 1/20 0.34

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
SCHEMBL7938197 1.00 ALOX15 (0.61) ALOX15ALOX12TSHRTAAR1SLC6A4
SCHEMBL7937859 1.00 ALOX15 (0.61) ALOX15ALOX12TSHRTAAR1SLC6A4
SCHEMBL9589462 0.86 ALOX15 (0.65) ALOX15ALOX12TSHRTAAR1SLC6A4
SCHEMBL7937123 0.83 ALOX15 (0.66) ALOX15ALOX12TSHRTAAR1SLC6A4
SCHEMBL3278227 0.83 ALOX15 (0.61) ALOX15ALOX12TSHRTAAR1SLC6A4
SCHEMBL7935126 0.83 ALOX15 (0.61) ALOX15ALOX12TSHRTAAR1SLC6A4
SCHEMBL7935230 0.83 ALOX15 (0.66) ALOX15ALOX12TSHRTAAR1SLC6A4
SCHEMBL7940380 0.83 ALOX15 (0.61) ALOX15ALOX12TSHRTAAR1SLC6A4
SCHEMBL7935234 0.83 ALOX15 (0.66) ALOX15ALOX12TSHRTAAR1SLC6A4
SCHEMBL7935121 0.83 ALOX15 (0.61) ALOX15ALOX12TSHRTAAR1SLC6A4

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 6 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
US-5902900-A OPTICAL PURITY, USE AS ANTI-OBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-11 US disclosed
US-5679557-A Process of asymmetrically reducing 1-phenyl-2-oxo-propane derivatives with microorganisms DAICEL CHEMICAL INDUSTRIES, LIMITED (JP) 1997-10-21 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