SCHEMBL9702659

SCHEMBL9702659

COC(=O)CCC(=O)NCCCN1CCCC1=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ATM Q13315 1/20 0.51
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL9702275 0.85 MAPK1 (0.62) MAPK1NPC1RAB9AKDM4EALDH1A1
SCHEMBL27418304 0.84 KMT2A (0.51) MAPK1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL2944803 0.83 SMN1; SMN2 (0.50) MAPK1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL29077793 0.83 LMNA (0.54) MAPK1SMN1; SMN2L3MBTL1TSHRKMT2A
SCHEMBL6359808 0.82 RAB9A (0.60) MAPK1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL19513773 0.82 SMN1; SMN2 (0.49) MAPK1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL21998656 0.82 MAPK1 (0.56) MAPK1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL21999368 0.82 MAPK1 (0.56) MAPK1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL21998655 0.82 MAPK1 (0.56) MAPK1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL10645521 0.81 KMT2A (0.54) SMN1; SMN2L3MBTL1NPC1RAB9AKDM4E

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
US-5118811-A Treatment and prevention of dementia and amnesia JAPAN TOBACCO INC. (JP) 1992-06-02 US disclosed
EP-0419683-A1 NEW AMINO ACID DERIVATIVES HAVING PROLYLENDOPEPTIDASE INHIBITOR ACTIVITY Japan Tobacco Inc. (JP) 1991-04-03 EP disclosed