SCHEMBL30703822

SCHEMBL30703822

COC(=O)c1cnc(C(=O)O)cc1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASPH Q12797 4/20 0.45
▸ KDM8 Q8N371 4/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ PDK2 Q15119 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ RIOX2 Q8IUF8 2/20 0.39
▸ CNR2 P34972 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ SLC6A3 Q01959 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
SCHEMBL22769843 0.85 KDM4E (0.43) ASPHKDM8KDM4EMAPK1SMN1; SMN2
SCHEMBL31072272 0.85 KDM4E (0.43) ASPHKDM8KDM4EMAPK1SMN1; SMN2
SCHEMBL31208501 0.81 OPRK1 (0.42) PDK2PDK4SLC6A3OPRK1
SCHEMBL9319224 0.78 KDM4E (0.53) ASPHKDM8KDM4EMAPK1L3MBTL1
SCHEMBL24660110 0.77 ASPH (0.40) ASPHKDM8KDM4EMAPK1L3MBTL1
SCHEMBL31318735 0.75 KDM4E (0.50) ASPHKDM8KDM4EMAPK1L3MBTL1
SCHEMBL29878040 0.75 MAPK1 (0.41) KDM4EMAPK1CNR2LMNASLC6A3
SCHEMBL21616744 0.74 ASPH (0.45) ASPHKDM8KDM4EL3MBTL1RIOX2
SCHEMBL21623504 0.73 GABRA1 (0.41) KDM4EMAPK1L3MBTL1PDK2PDK4
SCHEMBL29695156 0.73 OPRK1 (0.43) KDM4EPDK2PDK4CNR2SMN1; SMN2

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-113348170-B Biphenyl derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-22 — — CN disclosed
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