SCHEMBL28458215

SCHEMBL28458215

COc1cc(C#N)cc2c1[C@H](OC(N)=O)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ MAPK7 Q13164 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP11B2 P19099 2/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ FKBP1A P62942 2/20 0.32
▸ STS P08842 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.32
▸ POLB P06746 1/20 0.31

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
SCHEMBL28458217 1.00 PPARD (0.36) PPARDPPARACA1CA2CA9
SCHEMBL21179090 0.75 PPARD (0.38) PPARDPPARACA1CA2KDM4E
SCHEMBL21179091 0.75 PPARD (0.38) PPARDPPARACA1CA2KDM4E
SCHEMBL29187437 0.74 LRRK2 (0.45) PPARDPPARAKDM1A
SCHEMBL29187438 0.74 LRRK2 (0.45) PPARDPPARAKDM1A
SCHEMBL21178718 0.71 DRD2 (0.43) —
SCHEMBL524682 0.62 NSD2 (0.42) CYP11B2
SCHEMBL5782933 0.62 XDH (0.42) MAPTCYP11B2
Acetone SCHEMBL28054480 0.61 AR (0.57) CA1CA2CA9CA14MAPT
SCHEMBL443285 0.61 TTR (0.52) CA1CA2CA9CA14KDM4E

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-117964573-A Dihydrobenzofuran and indene analogs as myocardial segment inhibitors 赛特凯恩蒂克公司 2024-05-03 — — CN disclosed
CN-117924208-A Dihydrobenzofuran and indene analogs as myocardial segment inhibitors 赛特凯恩蒂克公司 2024-04-26 — — CN disclosed
CN-111757875-B Dihydrobenzofuran and indene analogs as myocardial segment inhibitors 赛特凯恩蒂克公司 2024-01-09 — — CN disclosed
CN-111757875-A Dihydrobenzofuran and indene analogs as inotropic agents 赛特凯恩蒂克公司 2020-10-09 — — CN disclosed
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