SCHEMBL28864147

SCHEMBL28864147

NC1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
KMT2A Q03164 2/20 0.44
FABP5 Q01469 3/20 0.43
FABP7 O15540 2/20 0.43
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX15 P16050 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
KDM1A O60341 1/20 0.37

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
SCHEMBL25968740 0.93 EPHX2 (0.43) EPHX2KMT2AFABP5FABP7POLB
SCHEMBL7449064 0.85 FABP5 (0.43) EPHX2KMT2AFABP5FABP7POLB
SCHEMBL16004761 0.84 POLB (0.46) EPHX2KMT2AFABP5FABP7POLB
SCHEMBL119410 0.84 KMT2A (0.49) EPHX2KMT2AFABP5FABP7POLB
SCHEMBL13327274 0.84 POLB (0.52) EPHX2KMT2AFABP5FABP7POLB
SCHEMBL22397770 0.84 POLB (0.52) EPHX2KMT2AFABP5FABP7POLB
SCHEMBL1256558 0.83 OPRD1 (0.48) EPHX2KMT2AFABP5FABP7SMN1; SMN2
SCHEMBL2348837 0.82 KMT2A (0.47) EPHX2KMT2AFABP5FABP7POLB
SCHEMBL27143217 0.82 KMT2A (0.43) EPHX2KMT2AFABP5FABP7POLB
Hydrochloric Acid SCHEMBL2348833 0.81 KMT2A (0.46) EPHX2KMT2AFABP5FABP7POLB

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
CN-115043904-B Long-acting K opioid receptor agonist 成都奥达生物科技有限公司 2024-07-23 CN disclosed
CN-115043904-A Long-acting K opioid receptor agonist 成都奥达生物科技有限公司 2022-09-13 CN disclosed