SCHEMBL21616724

SCHEMBL21616724

COC(OC)c1cnc(C(=O)O)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 9/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ASPH Q12797 4/20 0.39
▸ KDM8 Q8N371 3/20 0.39
▸ GPR35 Q9HC97 1/20 0.38
▸ RIOX2 Q8IUF8 2/20 0.35
▸ P4HA1 P13674 1/20 0.34
▸ MIF P14174 1/20 0.34
▸ P4HTM Q9NXG6 1/20 0.34
▸ SIRT6 Q8N6T7 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL21622928 0.85 MAPK1 (0.44) KDM4EMAPK1L3MBTL1
SCHEMBL21616774 0.80 GPR35 (0.43) KMOKDM4EMAPK1L3MBTL1ASPH
SCHEMBL30340453 0.80 GPR35 (0.43) KMOKDM4EMAPK1L3MBTL1ASPH
SCHEMBL28475255 0.77 KDM4E (0.42) KMOKDM4EASPHKDM8GPR35
SCHEMBL21616740 0.76 HCAR2 (0.43) KDM4EMAPK1L3MBTL1ASPHKDM8
SCHEMBL10709062 0.76 KMO (0.55) KMOKDM4EMAPK1L3MBTL1ASPH
SCHEMBL24660110 0.75 ASPH (0.40) KMOKDM4EMAPK1L3MBTL1ASPH
SCHEMBL3408592 0.74 KMO (0.52) KMOKDM4EASPHKDM8GPR35
SCHEMBL29712296 0.74 KMO (0.52) KMOKDM4EASPHKDM8GPR35
SCHEMBL935259 0.73 KMO (0.51) KMOKDM4EMAPK1L3MBTL1ASPH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111886219-B Immunosuppressant, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2023-04-25 — — CN disclosed
CN-111886219-A Immunosuppressant, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2020-11-03 — — CN disclosed
WO-2020011209-A1 IMMUNOSUPPRESSIVE AGENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2020-01-16 — — WO disclosed
WO-2020011209-A1 IMMUNOSUPPRESSIVE AGENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2020-01-16 — — WO disclosed
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