SCHEMBL7566468

SCHEMBL7566468

COC(=O)N1C[C@H](Sc2ccc(C)cc2)[C@H](c2ccc(OCCCOCc3ccccc3)cc2)[C@H](Sc2ccc(C)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
REN P00797 6/20 0.39
LTA4H P09960 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PDE4B Q07343 1/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6043090 0.86 REN (0.41) KMT2AMEN1RENLTA4HKDM4E
SCHEMBL6042315 0.82 KDM4E (0.38) KMT2AMEN1RENKDM4EALDH1A1
SCHEMBL6042310 0.79 REN (0.46) KMT2AMEN1RENKDM4EALDH1A1
SCHEMBL6952826 0.77 REN (0.36) KMT2AMEN1RENKDM4EALDH1A1
SCHEMBL6043145 0.72 REN (0.51) KMT2ARENKDM4EALDH1A1LMNA
SCHEMBL6043150 0.72 REN (0.51) KMT2ARENKDM4EALDH1A1LMNA
SCHEMBL6042685 0.72 REN (0.49) RENKDM4EALDH1A1LMNA
SCHEMBL6042682 0.72 REN (0.49) RENKDM4EALDH1A1LMNA
SCHEMBL13778710 0.72 DRD2 (0.54) KMT2AMEN1LMNAGAA
SCHEMBL6042041 0.72 REN (0.45) KMT2AMEN1RENKDM4EALDH1A1

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-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed