SCHEMBL28098528

SCHEMBL28098528

CCCCOC(=O)Nc1ccc(CC=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.63
SMN1; SMN2 Q16637 11/20 0.63
NPC1 O15118 10/20 0.63
HPGD P15428 8/20 0.63
MAPT P10636 4/20 0.63
ALDH1A1 P00352 4/20 0.63
MAPK1 P28482 2/20 0.63
KDM4E B2RXH2 2/20 0.63
CASP1 P29466 1/20 0.63
MCL1 Q07820 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
KMT2A Q03164 3/20 0.60
TP53 P04637 2/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
LMNA P02545 2/20 0.53

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
SCHEMBL7564852 0.87 RAB9A (0.79) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL1022959 0.86 RAB9A (0.68) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL29892760 0.85 RAB9A (0.67) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL6347341 0.84 RAB9A (0.65) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL13387589 0.83 RAB9A (0.72) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL8866622 0.82 RAB9A (0.63) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL12637646 0.82 RAB9A (0.68) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL6803471 0.82 RAB9A (0.63) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL16696426 0.82 RAB9A (0.68) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL8866630 0.82 RAB9A (0.63) RAB9ASMN1; SMN2NPC1HPGDMAPT

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
CN-103936716-B Tool muscarinic receptor antagonists and the diamide compound of beta 2 adrenoreceptor agonists activity 施万呼吸有限责任公司 2016-09-07 CN disclosed