SCHEMBL28828372

SCHEMBL28828372

CCCCOc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.40
RARA P10276 1/20 0.39
PPARD Q03181 1/20 0.37
HPGD P15428 4/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR2A P28223 1/20 0.36
SPHK1 Q9NYA1 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
SCHEMBL28828488 0.96 ACACB (0.37) RARBRARAPPARDALDH1A1
SCHEMBL28950180 0.93 NR1H4 (0.41) PPARDSMN1; SMN2HTR2A
SCHEMBL29121247 0.91 PARP10 (0.39) PPARDHPGDALDH1A1
SCHEMBL28828590 0.91 PARP10 (0.39) PPARDHPGDALDH1A1
SCHEMBL28828573 0.90 CHEK1 (0.41) RARBRARAPPARD
SCHEMBL28828468 0.90 PARP1 (0.36) RARBRARAPPARDALDH1A1HTR2A
SCHEMBL29121254 0.89 RARB (0.40) RARBRARAPPARDMEN1KMT2A
SCHEMBL28828679 0.87 SLC13A5 (0.40) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL28828438 0.87 FYN (0.40) RARBRARAPPARD
SCHEMBL28828547 0.87 MPL (0.41) RARBRARAHPGDALDH1A1MEN1

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