SCHEMBL2550123

SCHEMBL2550123

CCOC(=O)C(c1ccccc1)N(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.53
PIN1 Q13526 1/20 0.49
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.45
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL1696052 0.85 ROCK2 (0.49) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL8024263 0.84 MMP8 (0.51) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL753964 0.83 NAMPT (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL18901997 0.82 MMP8 (0.47) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL6639945 0.81 KMT2A (0.60) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL13379540 0.81 MMP8 (0.46) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL6641302 0.81 MAPK1 (0.46) NPC1SMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL4218939 0.81 MMP8 (0.42) MMP8SMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL2550492 0.79 TDP1 (0.43) MMP8PIN1MEN1NPC1KMT2A
SCHEMBL1695925 0.79 SLC6A2 (0.47) MMP8PIN1MEN1NPC1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483274-A A kind of preparation method of cyclopentolate hydrochloride intermediate SHANDONG SHENLIAN BIOLOGICAL TECH CO LTD 2019-11-22 CN disclosed
CN-106083615-B A kind of preparation method of cyclopentolate hydrochloride 山东省药学科学院 2019-03-08 CN disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed