SCHEMBL6954284

SCHEMBL6954284

CCC[C@H](C(N)=O)C(CC(C)C)C(=O)N1CCCC(C(=O)OCC)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 2/20 0.47
LIPE Q05469 1/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL6954285 1.00 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2TSHRNPC1
SCHEMBL7067800 1.00 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2TSHRNPC1
SCHEMBL6946641 0.88 MAPT (0.49) ALDH1A1SMN1; SMN2MAPTLIPEPOLB
SCHEMBL7068432 0.88 MAPT (0.49) ALDH1A1SMN1; SMN2MAPTLIPEPOLB
SCHEMBL6946636 0.88 MAPT (0.49) ALDH1A1SMN1; SMN2MAPTLIPEPOLB
SCHEMBL6956637 0.88 LMNA (0.50) ALDH1A1
SCHEMBL6956635 0.88 LMNA (0.50) ALDH1A1
SCHEMBL7069250 0.88 LMNA (0.50) ALDH1A1
SCHEMBL6954395 0.86 XPNPEP2 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL7068510 0.86 XPNPEP2 (0.43) ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268454-A1 SUCCINOYLAMINO HETEROCYCLES AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-01-02 EP disclosed
WO-2001074796-A1 SUCCINOYLAMINO HETEROCYCLES AS INHIBITORS OF Aβ PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-10-11 WO disclosed