SCHEMBL27726953

SCHEMBL27726953

CC(=O)Cc1cccc2oc3ccccc3c(=O)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.55
KDM4E B2RXH2 2/20 0.52
CYP17A1 P05093 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
PGAM1 P18669 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL7140586 0.86 MAOA (0.57) MAOAKDM4ECYP17A1CYP19A1CYP11B1
SCHEMBL9738575 0.82 MAOA (0.53) MAOAKDM4ECYP17A1CYP19A1CYP11B1
SCHEMBL13359234 0.82 MAOA (0.64) MAOAKDM4ECYP17A1CYP19A1CYP11B1
SCHEMBL18242476 0.82 MAOA (0.59) MAOAKDM4ECYP17A1CYP19A1CYP11B1
SCHEMBL27860391 0.82 KDM4E (0.56) MAOAKDM4ECYP17A1CYP19A1CYP11B1
SCHEMBL2052448 0.79 IKBKB (0.58) MAOAKDM4ECYP17A1CYP19A1CYP11B1
SCHEMBL27550549 0.78 MAOA (0.51) MAOAKDM4ECYP17A1CYP19A1CYP11B1
SCHEMBL18242380 0.78 MAOA (0.54) MAOAKDM4ECYP17A1CYP19A1CYP11B1
SCHEMBL9376908 0.78 MAOA (0.57) MAOAKDM4ECYP17A1CYP19A1CYP11B1
SCHEMBL7943748 0.78 MAOA (0.57) MAOAKDM4ECYP17A1CYP19A1CYP11B1

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
CN-101307122-B Light polymerization process for preparing block or graft polymer UNIV BEIJING CHEMICAL 2010-06-16 CN disclosed
CN-101307122-A Light polymerization process for preparing block or graft polymer UNIV BEIJING CHEMICAL (CN) 2008-11-19 CN disclosed