SCHEMBL30132666

SCHEMBL30132666

COc1c(O)ccc(C(=O)CCCl)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ PIK3CA P42336 2/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MPI P34949 1/20 0.36
▸ GRK6 P43250 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ TLR1 Q15399 1/20 0.36
▸ TLR6 Q9Y2C9 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL20554382 1.00 MAPT (0.42) MAPTTDP1NPC1RAB9APKM
SCHEMBL11539485 0.87 MAPT (0.45) MAPTTDP1NPC1RAB9APKM
SCHEMBL20014212 0.79 PIK3CA (0.56) MAPTRAB9APKMPIK3CAMEN1
SCHEMBL25236549 0.79 MAPT (0.51) MAPTTDP1NPC1RAB9APKM
SCHEMBL20554833 0.78 SHBG (0.55) MAPTNPC1RAB9APIK3CAMEN1
SCHEMBL30132562 0.78 SHBG (0.55) MAPTNPC1RAB9APIK3CAMEN1
SCHEMBL1758178 0.77 MAPT (0.52) MAPTTDP1NPC1RAB9AALDH1A1
SCHEMBL20554639 0.76 PIK3CA (0.45) MAPTPIK3CAMEN1KMT2AALDH1A1
SCHEMBL12683255 0.75 TDP1 (0.70) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL23120369 0.75 ALDH1A1 (0.52) MAPTTDP1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 — — CN disclosed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 — — CN disclosed
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