SCHEMBL28054221

SCHEMBL28054221

O=CC(=O)c1c2ccccc2cn1CCCCC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HDAC1 Q13547 5/20 0.42
HDAC8 Q9BY41 5/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
TBXAS1 P24557 1/20 0.41
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38

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
SCHEMBL27799440 0.85 CNR2 (0.37) CNR2
SCHEMBL27951823 0.83 CNR2 (0.41) CNR2
SCHEMBL28826410 0.82 CNR2 (0.43) CNR2
SCHEMBL27670405 0.81 CNR2 (0.34) CNR2
SCHEMBL28054208 0.80 CNR2 (0.34) CNR2
SCHEMBL27997552 0.78 CREBBP (0.38) TDP1L3MBTL1LMNACNR2ALDH1A1
SCHEMBL27612025 0.78 CNR1 (0.37) CNR2
Toluene SCHEMBL27879760 0.78 CNR2 (0.37) HDAC1HDAC6CNR2
SCHEMBL27926249 0.78 PTPN1 (0.34) TDP1CNR2ALDH1A1MAPK1
SCHEMBL28815885 0.74 KMT2A (0.39) TDP1LMNAMAPTNPC1RAB9A

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
CN-105263899-A Phenoxyalkylamine compound UNIV OSAKA NAT UNIV CORP 2016-01-20 CN disclosed