SCHEMBL13680911

SCHEMBL13680911

O=CCCc1ccc(N2CCOCC2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.46
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 6/20 0.46
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 8/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
GAA P10253 4/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
THRB P10828 1/20 0.41
RAB9A P51151 1/20 0.39
PRKDC P78527 5/20 0.38
MAPK1 P28482 1/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AOC3 Q16853 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
SCHEMBL3127066 0.84 AR (0.49) ARALDH1A1KDM4EALOX12CASP1
SCHEMBL1432800 0.75 ALDH1A1 (0.55) ARALDH1A1KDM4EALOX12CASP1
SCHEMBL10332004 0.75 AR (0.53) ARALDH1A1KDM4EALOX12CASP1
SCHEMBL13680782 0.72 SLC13A5 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4324371 0.69 AR (0.43) ARALDH1A1KDM4EALOX12CASP1
SCHEMBL1433172 0.68 AOC3 (0.77) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7860579 0.67 AR (0.56) ARALDH1A1KDM4EALOX12CASP1
SCHEMBL26990021 0.67 HPGD (0.51) ARALDH1A1KDM4EALOX12CASP1
SCHEMBL13680781 0.67 AGXT (0.57) MAPTMEN1KMT2ALMNAPRKDC
SCHEMBL1255409 0.67 SLC13A5 (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed