SCHEMBL8302764

SCHEMBL8302764

CCOC(Cc1ccc(CCCN2CCN(Cc3ccccc3)CCC2=O)cc1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 6/20 0.49
LMNA P02545 7/20 0.49
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
THRB P10828 2/20 0.48
MAPT P10636 3/20 0.47
RECQL P46063 1/20 0.46
POLB P06746 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL8303961 0.93 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAMEN1NPC1
SCHEMBL8306093 0.86 PPARG (0.39) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL8307961 0.79 MEN1 (0.41) ALDH1A1SMN1; SMN2LMNAMEN1NPC1
SCHEMBL8304487 0.79 PPARG (0.48)
SCHEMBL6956670 0.77 PPARG (0.43) MEN1KMT2A
SCHEMBL8302026 0.74 SLC6A2 (0.39) ALDH1A1SMN1; SMN2LMNAMEN1NPC1
SCHEMBL8301593 0.74 PPARG (0.51) MEN1NPC1RAB9AKMT2A
SCHEMBL8305544 0.72 PPARG (0.51)
SCHEMBL6952012 0.72 PPARG (0.38)
SCHEMBL6957457 0.68 PPARA (0.52)

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
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed