SCHEMBL7921902

SCHEMBL7921902

COC(=O)CCCC(=O)NC(C)c1cc2cc(OCc3ccc(O)cc3)ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.43
TAS1R3 Q7RTX0 4/20 0.40
TAS1R1 Q7RTX1 4/20 0.40
MAOB P27338 2/20 0.39
MAOA P21397 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL1390715 0.93 HDAC8 (0.44) HDAC8TAS1R3TAS1R1ALDH1A1KMT2A
SCHEMBL7921540 0.91 MAOA (0.41) TAS1R3TAS1R1MAOBMAOAALDH1A1
SCHEMBL7924980 0.87 MAOA (0.42) TAS1R3TAS1R1MAOBMAOAKMT2A
SCHEMBL1391152 0.84 NPC1 (0.43) MAOBMAOAALDH1A1KMT2AITGB3
SCHEMBL1390791 0.80 NPC1 (0.44) MAOBMAOAALDH1A1KMT2AITGB3
SCHEMBL1390566 0.76 FLT3 (0.48) TAS1R3TAS1R1MAOBMAOAKMT2A
SCHEMBL1390871 0.76 NPC1 (0.48) TAS1R3TAS1R1ALDH1A1KMT2A
SCHEMBL12433342 0.75 MAOA (0.53) MAOBMAOA
SCHEMBL7924664 0.75 APP (0.42) MAOBMAOAHDAC6KMT2A
SCHEMBL2312562 0.75 NPC1 (0.47) TAS1R3TAS1R1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO disclosed