SCHEMBL28476138

SCHEMBL28476138

COCc1cc(C(=O)OC)ncc1C(OC)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.41
▸ GABRA1 P14867 4/20 0.40
▸ GABRG2 P18507 4/20 0.40
▸ GABRB3 P28472 4/20 0.40
▸ GABRA5 P31644 4/20 0.40
▸ GABRA3 P34903 4/20 0.40
▸ GABRP O00591 3/20 0.40
▸ GABRD O14764 3/20 0.40
▸ GABRB1 P18505 3/20 0.40
▸ GABRA2 P47869 3/20 0.40
▸ GABRB2 P47870 3/20 0.40
▸ GABRA4 P48169 3/20 0.40
▸ GABRE P78334 3/20 0.40
▸ GABRA6 Q16445 3/20 0.40
▸ GABRG1 Q8N1C3 3/20 0.40
▸ GABRG3 Q99928 3/20 0.40
▸ GABRQ Q9UN88 3/20 0.40
▸ UBE2N P61088 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38

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
SCHEMBL21616740 0.87 HCAR2 (0.43) MAPK1KDM4EALDH1A1LMNACYP1A2
SCHEMBL30340445 0.85 SIRT6 (0.41) LCKLMNAHCAR2
SCHEMBL21616768 0.79 MAPK1 (0.42) MAPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL28796906 0.79 GABRP (0.43) MAPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL30836813 0.78 MAPK1 (0.45) MAPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL21622928 0.77 MAPK1 (0.44) MAPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL21623037 0.77 MAPK1 (0.44) MAPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL28986848 0.74 LMNA (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL28667813 0.74 CD274 (0.37) MAPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL31651591 0.69 MAPK1 (0.45) MAPK1GABRA1GABRG2GABRB3GABRA5

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-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
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