SCHEMBL27627130

SCHEMBL27627130

CC(CC(=O)c1ccccc1)C(=O)N(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ L3MBTL1 Q9Y468 3/20 0.58
▸ HPGD P15428 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ TSHR P16473 1/20 0.52
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ MAPK1 P28482 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ CES1 P23141 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ATM Q13315 1/20 0.44

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
SCHEMBL25527598 0.85 SMN1; SMN2 (0.54) ALDH1A1L3MBTL1HPGDMAPTSMN1; SMN2
SCHEMBL135355 0.81 L3MBTL1 (0.66) ALDH1A1L3MBTL1HPGDMAPTSMN1; SMN2
Trimethylammonium SCHEMBL27818073 0.79 TSHR (0.57) ALDH1A1L3MBTL1HPGDMAPTSMN1; SMN2
SCHEMBL25645639 0.79 L3MBTL1 (0.64) ALDH1A1L3MBTL1HPGDMAPTSMN1; SMN2
SCHEMBL8675027 0.79 L3MBTL1 (0.64) ALDH1A1L3MBTL1HPGDMAPTSMN1; SMN2
SCHEMBL11011562 0.78 L3MBTL1 (0.62) ALDH1A1L3MBTL1HPGDMAPTSMN1; SMN2
SCHEMBL6724547 0.78 TSHR (0.55) ALDH1A1L3MBTL1HPGDMAPTSMN1; SMN2
SCHEMBL11177908 0.78 L3MBTL1 (0.62) ALDH1A1L3MBTL1HPGDMAPTSMN1; SMN2
SCHEMBL10921665 0.78 L3MBTL1 (0.62) ALDH1A1L3MBTL1HPGDMAPTSMN1; SMN2
SCHEMBL10921663 0.78 L3MBTL1 (0.62) ALDH1A1L3MBTL1HPGDMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101787000-B M-stage kinesin inhibitor KYOWA HAKKO KOGYO KK 2011-08-03 — — CN disclosed
CN-101787000-A M-stage kinesin inhibitor KYOWA HAKKO KOGYO KK 2010-07-28 — — CN disclosed
CN-1774428-B M-phase kinesin inhibitors KYOWA HAKKO KOGYO KK 2010-06-16 — — CN disclosed
CN-1774428-A M-phase kinesin inhibitors KYOWA HAKKO KOGYO KK (JP) 2006-05-17 — — CN disclosed
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