SCHEMBL28828409

SCHEMBL28828409

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.39
MPL P40238 2/20 0.34
FFAR2 O15552 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
RARB P10826 5/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
MCHR1 Q99705 1/20 0.32
FFAR4 Q5NUL3 2/20 0.31
THRB P10828 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
SCHEMBL29121294 1.00 MCL1 (0.39) MCL1MPLFFAR2ACACBACACA
SCHEMBL29121203 0.93 MPL (0.41) MPLRARBRARARARG
SCHEMBL28828547 0.93 MPL (0.41) MPLRARBRARARARG
SCHEMBL28828536 0.91 EDNRB (0.36)
SCHEMBL29121367 0.89 MCL1 (0.38) MCL1MPLFFAR2ACACBACACA
SCHEMBL28828627 0.88 MCL1 (0.38) MCL1MPLFFAR2ACACBACACA
SCHEMBL28828455 0.86 WRN (0.34) MPL
SCHEMBL29121316 0.85 EPHX1 (0.36) RARB
SCHEMBL28828404 0.85 EPHX1 (0.36) RARB
SCHEMBL28828382 0.84 DHODH (0.36) MCL1

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