SCHEMBL10069047

SCHEMBL10069047

COCCOc1cc(C(=O)OC)cc(C(=O)N(C)OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ RAB9A P51151 1/20 0.42
▸ LMNA P02545 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ GAA P10253 1/20 0.36
▸ NFKB1 P19838 1/20 0.36

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
SCHEMBL38987 0.87 MAPT (0.59) MAPTRAB9ALMNAATMTDP1
SCHEMBL2809253 0.83 MAPT (0.59) MAPTRAB9ALMNAATMTDP1
SCHEMBL1189205 0.81 GPBAR1 (0.41) MAPTRAB9APOLBGPBAR1LIMK2
SCHEMBL39386 0.81 MAPT (0.53) MAPTRAB9ALMNAATMTDP1
SCHEMBL46505 0.80 MAPT (0.51) MAPTRAB9ALMNAATMTDP1
SCHEMBL46506 0.80 MAPT (0.51) MAPTRAB9ALMNAATMTDP1
SCHEMBL89205 0.79 MAPT (0.54) MAPTRAB9AL3MBTL1POLBALDH1A1
SCHEMBL12733610 0.79 MAPT (0.54) MAPTRAB9ALMNAATMTDP1
SCHEMBL89250 0.79 MAPT (0.53) MAPTRAB9ALMNAATMTDP1
SCHEMBL16533943 0.78 MAPT (0.53) MAPTRAB9ALMNAATMTDP1

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
WO-2012019428-A1 BENZOHYDROL DERIVATIVES, A PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-02-16 — — WO disclosed
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