SCHEMBL7591191

SCHEMBL7591191

O=C(O)N1CC(CO)C(c2ccc(OCCCOCc3ccccc3)cc2)C(CO)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.45
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
KCNH2 Q12809 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
S1PR1 P21453 1/20 0.41
GBA1 P04062 2/20 0.40
UGCG Q16739 2/20 0.40
GBA2 Q9HCG7 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TEAD3 Q99594 1/20 0.39

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
SCHEMBL6044040 1.00 REN (0.45) RENKDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL6044047 1.00 REN (0.45) RENKDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL6041679 0.94 REN (0.47) RENKDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL6042268 0.91 REN (0.45) RENKDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL6042353 0.89 S1PR5 (0.49) SMN1; SMN2LMNAKCNH2NPC1RAB9A
SCHEMBL6042358 0.89 S1PR5 (0.49) SMN1; SMN2LMNAKCNH2NPC1RAB9A
SCHEMBL6042046 0.88 REN (0.45) RENKDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL6042041 0.88 REN (0.45) RENKDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL6043059 0.87 REN (0.57) RENKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL6043150 0.87 REN (0.51) RENKDM4ESMN1; SMN2KMT2AALDH1A1

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