SCHEMBL28828514

SCHEMBL28828514

CCCCOc1ccc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.41
FFAR1 O14842 4/20 0.41
MCL1 Q07820 1/20 0.39
RARB P10826 4/20 0.39
RARA P10276 1/20 0.39
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
PTPN11 Q06124 1/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL29121333 1.00 FFAR4 (0.41) FFAR4FFAR1MCL1RARBRARA
SCHEMBL28828399 0.96 FFAR4 (0.39) FFAR4FFAR1MCL1RARBRARA
SCHEMBL29121169 0.96 FFAR4 (0.39) FFAR4FFAR1MCL1RARBRARA
SCHEMBL28828397 0.92 FFAR4 (0.43) FFAR4FFAR1HPGDALDH1A1
SCHEMBL29121251 0.92 FFAR4 (0.43) FFAR4FFAR1HPGDALDH1A1
SCHEMBL29121342 0.91 MCL1 (0.39) MCL1PTPN11SMN1; SMN2
SCHEMBL28828555 0.91 MCL1 (0.39) MCL1PTPN11SMN1; SMN2
SCHEMBL29121204 0.90 FFAR4 (0.40) FFAR4FFAR1MCL1RARBRARA
SCHEMBL29121360 0.88 RARB (0.41) FFAR4RARBRARAS1PR1S1PR3
SCHEMBL28828449 0.88 RARB (0.41) FFAR4RARBRARAS1PR1S1PR3

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