SCHEMBL16656201

SCHEMBL16656201

CC(C)CC(CO)N1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(C(CO)Cc1ccccc1)C3=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
GAA P10253 2/20 0.44
ALDH1A1 P00352 3/20 0.43
IDO1 P14902 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
TRPA1 O75762 1/20 0.41
AADAT Q8N5Z0 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
SCHEMBL16417482 0.92 ALDH1A1 (0.50) TDP1GAAALDH1A1IDO1L3MBTL1
SCHEMBL21226294 0.87 ALDH1A1 (0.47) TDP1GAAALDH1A1IDO1L3MBTL1
SCHEMBL15764213 0.87 ALDH1A1 (0.40) GAAALDH1A1L3MBTL1POLB
SCHEMBL21449400 0.86 ALDH1A1 (0.46) TDP1GAAALDH1A1IDO1L3MBTL1
SCHEMBL18351303 0.85 ALDH1A1 (0.40) GAAALDH1A1L3MBTL1
SCHEMBL1237351 0.82 ALDH1A1 (0.61) TDP1GAAALDH1A1IDO1L3MBTL1
SCHEMBL3444977 0.82 ALDH1A1 (0.61) TDP1GAAALDH1A1IDO1L3MBTL1
SCHEMBL1237353 0.82 ALDH1A1 (0.61) TDP1GAAALDH1A1IDO1L3MBTL1
SCHEMBL701650 0.82 ALDH1A1 (0.52) TDP1GAAALDH1A1
SCHEMBL701651 0.82 ALDH1A1 (0.52) TDP1GAAALDH1A1

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-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed
US-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed