SCHEMBL9425508

SCHEMBL9425508

CC(CSc1ccccc1)CC(=O)O.CCC(CSc1ccccc1)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
FFAR1 O14842 2/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PLA2G10 O15496 1/20 0.40
ALDH1A1 P00352 2/20 0.38
S100A4 P26447 1/20 0.37
CDC25B P30305 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP2 P08253 3/20 0.36
MMP3 P08254 3/20 0.36
MMP9 P14780 3/20 0.36
MMP13 P45452 2/20 0.36
MMP1 P03956 1/20 0.36
MMP8 P22894 1/20 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
SCHEMBL10175130 0.78 MTNR1A (0.58) MTNR1AMTNR1BFFAR1MAOAMAOB
SCHEMBL10175212 0.77 MTNR1A (0.50) MTNR1AMTNR1BFFAR1MAOAMAOB
SCHEMBL12610426 0.77 MAOA (0.57) MTNR1AMTNR1BFFAR1MAOAMAOB
SCHEMBL24088816 0.75 MAOA (0.61) MTNR1AMTNR1BFFAR1MAOAMAOB
SCHEMBL5314709 0.75 MAOA (0.61) MTNR1AMTNR1BFFAR1MAOAMAOB
SCHEMBL13074353 0.75 MAOA (0.61) MTNR1AMTNR1BFFAR1MAOAMAOB
SCHEMBL12446353 0.75 MTNR1A (0.48) MTNR1AMTNR1BMAOAMAOBALDH1A1
SCHEMBL10175188 0.74 MTNR1A (0.54) MTNR1AMTNR1BFFAR1MAOAMAOB
SCHEMBL14490649 0.73 MAOA (0.68) MTNR1AMTNR1BFFAR1MAOAMAOB
SCHEMBL726437 0.73 MTNR1A (0.47) MTNR1AMTNR1BFFAR1ALDH1A1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594621-A1 PROCESS FOR ENZYMATICALLY PREPARING ENANTIOMER-FREE ESTERS AND ALCOHOLS Roche Diagnostics GmbH (DE) 1994-05-04 EP disclosed
WO-1993002034-A1 PROCESS FOR ENZYMATICALLY PREPARING ENANTIOMER-FREE ESTERS AND ALCOHOLS BOEHRINGER MANNHEIM GMBH (DE) 1993-02-04 WO disclosed