SCHEMBL28113033

SCHEMBL28113033

CC(OC(=O)Cc1ccccc1)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
LMNA P02545 1/20 0.55
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
NPC1 O15118 1/20 0.47
FAAH O00519 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KCNA5 P22460 1/20 0.46
LIPE Q05469 1/20 0.46
HSD17B10 Q99714 1/20 0.45
FKBP1A P62942 1/20 0.44

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
SCHEMBL11175979 0.81 HSD17B10 (0.56) TSHRLMNAALDH1A1L3MBTL1MAPT
SCHEMBL28112989 0.79 TSHR (0.52) TSHRLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL7284538 0.77 KMT2A (0.51) LMNAALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL28781903 0.76 ALDH1A1 (0.59) TSHRLMNAALDH1A1L3MBTL1MAPT
SCHEMBL873430 0.74 TSHR (1.00) TSHRALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL22648518 0.74 MEN1 (0.59) TSHRLMNAALDH1A1MAPTNPC1
SCHEMBL13049037 0.74 MEN1 (0.59) TSHRLMNAALDH1A1MAPTNPC1
SCHEMBL12027622 0.74 MEN1 (0.59) TSHRLMNAALDH1A1MAPTNPC1
SCHEMBL6689255 0.74 ALDH1A1 (0.44) TSHRLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL5843161 0.73 LMNA (0.46) TSHRLMNAALDH1A1L3MBTL1MAPT

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-104011043-B The quinuclidine esters of 1-aza heterocycles guanidine-acetic acid, their preparation method and Pharmaceutical composition thereof as muscarine antagonist 奇斯药制品公司 2016-11-16 CN disclosed