SCHEMBL28828627

SCHEMBL28828627

CCCc1ccc(-c2ccc3c(c2)CC(CC)(CC)C3OC(N)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
RARB P10826 4/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
FFAR2 O15552 1/20 0.32
SLC13A5 Q86YT5 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
MPL P40238 2/20 0.32
AVPR2 P30518 1/20 0.31
AVPR1A P37288 1/20 0.31
NAAA Q02083 1/20 0.31
MCHR1 Q99705 1/20 0.31
FFAR4 Q5NUL3 2/20 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
SCHEMBL28828729 0.94 RARB (0.40) RARBRARARARGMPL
SCHEMBL28828439 0.91 PPARA (0.36)
SCHEMBL29121294 0.88 MCL1 (0.39) MCL1RARBRARARARGFFAR2
SCHEMBL28828409 0.88 MCL1 (0.39) MCL1RARBRARARARGFFAR2
SCHEMBL28828549 0.87 MMP9 (0.36) RARB
SCHEMBL28828450 0.86 KDM1A (0.36)
SCHEMBL28950171 0.86 RARB (0.37) RARBRARAACACBACACA
SCHEMBL28828756 0.85 CHRNB2 (0.39) NAAA
SCHEMBL28950179 0.84 CYP2C9 (0.35)
SCHEMBL28828723 0.84 BCL2 (0.42)

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