SCHEMBL28828575

SCHEMBL28828575

CCCOc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c(OCCC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PTPN11 Q06124 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA7 P43166 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 4/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
CA12 O43570 1/20 0.34
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
NQO2 P16083 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MAPK13 O15264 1/20 0.33
GCGR P47871 1/20 0.33
MAPK12 P53778 1/20 0.33

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
SCHEMBL28828480 0.89 HTR2C (0.36) FNTAFNTBPGGT1B
SCHEMBL28828488 0.89 ACACB (0.37) PPARD
SCHEMBL28828679 0.87 SLC13A5 (0.40) KMT2A
SCHEMBL28828372 0.85 RARB (0.40) KMT2AMEN1PPARD
SCHEMBL28828384 0.85 HTR2C (0.38)
SCHEMBL29121275 0.84 MAPT (0.36) KMT2AMEN1PTPN11PPARD
SCHEMBL28950180 0.84 NR1H4 (0.41) PTPN11PPARD
SCHEMBL29121336 0.83 TSHR (0.35) PPARD
SCHEMBL29121322 0.83 CSNK2A1 (0.39)
SCHEMBL28828676 0.83 CYP1A1 (0.45)

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-114829361-B Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-07-16 CN claimed
CN-114829361-A Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing same 柳韩洋行 2022-07-29 CN claimed
CN-114829361-B Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-07-16 CN disclosed
CN-114829361-A Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing same 柳韩洋行 2022-07-29 CN disclosed