SCHEMBL8307961

SCHEMBL8307961

CCN1CCC(=O)N(CCCc2ccc(CC(OC(C)C)C(N)=O)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8302026 0.91 SLC6A2 (0.39) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL8302764 0.79 ALDH1A1 (0.50) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL8306093 0.79 PPARG (0.39) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL8306723 0.75 PARP1 (0.36)
SCHEMBL8304487 0.71 PPARG (0.48)
SCHEMBL6948981 0.66 ALDH1A1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL6949260 0.66 NPC1 (0.43) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6956670 0.66 PPARG (0.43) MEN1KMT2A
SCHEMBL8301292 0.66 PPARG (0.37)
SCHEMBL8305544 0.65 PPARG (0.51)

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