SCHEMBL6635759

SCHEMBL6635759

COc1ccc2cccc3c2c1CCC3=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
USP2 O75604 1/20 0.56
S100A4 P26447 1/20 0.56
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
PDE4D Q08499 1/20 0.44
MTNR1A P48039 5/20 0.43
MTNR1B P49286 5/20 0.43
ACHE P22303 1/20 0.43
MAPT P10636 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6635718 0.91 MEN1 (0.50) MEN1KMT2AUSP2S100A4KDM4E
SCHEMBL29506042 0.80 KDM4E (0.61) MEN1KMT2AUSP2S100A4KDM4E
SCHEMBL165220 0.80 KDM4E (0.61) MEN1KMT2AUSP2S100A4KDM4E
SCHEMBL18499925 0.77 MTNR1B (0.47) MEN1KMT2AUSP2S100A4MTNR1A
SCHEMBL6633781 0.76 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL30067546 0.76 ALDH1A1 (0.44) MEN1KMT2AUSP2S100A4KDM4E
SCHEMBL30067411 0.76 ALDH1A1 (0.44) MEN1KMT2AUSP2S100A4KDM4E
SCHEMBL16230011 0.75 ALDH1A1 (0.61) MEN1KMT2AUSP2S100A4KDM4E
SCHEMBL6634264 0.75 MTNR1A (0.39) MTNR1AMTNR1B
SCHEMBL6634288 0.74 MTNR1A (0.44) MTNR1AMTNR1B

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-1047664-B1 NOVEL TRICYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2004-05-19 EP disclosed
US-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed