SCHEMBL28828397

SCHEMBL28828397

CCOc1ccc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 12/20 0.43
FFAR1 O14842 2/20 0.42
PARP10 Q53GL7 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGS2 P35354 1/20 0.33
TP53 P04637 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
SCHEMBL29121251 1.00 FFAR4 (0.43) FFAR4FFAR1PARP10HCRTR1HCRTR2
SCHEMBL29121333 0.92 FFAR4 (0.41) FFAR4FFAR1ALDH1A1HPGD
SCHEMBL28828399 0.92 FFAR4 (0.39) FFAR4FFAR1
SCHEMBL29121169 0.92 FFAR4 (0.39) FFAR4FFAR1
SCHEMBL28828514 0.92 FFAR4 (0.41) FFAR4FFAR1ALDH1A1HPGD
SCHEMBL29121370 0.90 FFAR4 (0.42) FFAR4FFAR1PARP10HCRTR1HCRTR2
SCHEMBL28828364 0.89 FFAR4 (0.38) FFAR4ALDH1A1GAAMAPTTP53
SCHEMBL28828664 0.89 PTGS2 (0.45) FFAR4FFAR1GAAMAPTPTGS2
SCHEMBL29121276 0.89 FFAR4 (0.38) FFAR4ALDH1A1GAAMAPTTP53
SCHEMBL29121291 0.89 PARP10 (0.36) FFAR4FFAR1PARP10HCRTR1HCRTR2

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