SCHEMBL6270990

SCHEMBL6270990

CCSc1ccc(Cc2[c]cccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.42
MAOA P21397 1/20 0.41
LTA4H P09960 1/20 0.36
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC5A2 P31639 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL27490282 0.80 TP53 (0.44) ALDH1A1MAPK1SMN1; SMN2RAB9A
SCHEMBL6353303 0.77 IDO1 (0.37) ALDH1A1SMN1; SMN2RAB9A
SCHEMBL79754 0.76 CALM1 (0.50) LTA4HALDH1A1
SCHEMBL7785326 0.73 NQO1 (0.47) LTA4HALDH1A1SMN1; SMN2GAA
SCHEMBL8939729 0.73 TAAR1 (0.43) ALDH1A1MAPK1GAARAB9A
SCHEMBL1531987 0.73 IDO1 (0.37) ALDH1A1MAPK1
SCHEMBL4390802 0.73 APP (0.37)
SCHEMBL8791282 0.73 ESR1 (0.50) ALDH1A1SLC6A2SLC6A3
SCHEMBL17956849 0.73 CYP3A4 (0.50) MAOAALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL1531966 0.73 SIGMAR1 (0.37) SLC6A4ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450011-A Compositions and methods for treating metabolic disorders 阿沃林特有限公司 2022-05-06 CN disclosed
EP-1270584-B1 GLUCOPYRANOSYLOXY BENZYLBENZENE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION OF THE DERIVATIVES KISSEI PHARMACEUTICAL (JP) 2005-12-07 EP disclosed
EP-1270584-A1 GLUCOPYRANOSYLOXY BENZYLBENZENE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION OF THE DERIVATIVES Kissei Pharmaceutical Co., Ltd. (JP) 2003-01-02 EP disclosed