SCHEMBL28828503

SCHEMBL28828503

CCOc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
FFAR1 O14842 3/20 0.36
PPARD Q03181 3/20 0.36
NAAA Q02083 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
CSF1R P07333 1/20 0.35
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
SSTR5 P35346 1/20 0.33
GPR52 Q9Y2T5 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
SCHEMBL29121339 1.00 KDM1A (0.38) KDM1AFFAR1PPARDNAAAKDM4E
SCHEMBL29121340 0.92 BTK (0.39) FFAR1PPARDMAPTHSD17B10FFAR4
SCHEMBL28828576 0.92 BTK (0.39) FFAR1PPARDMAPTHSD17B10FFAR4
SCHEMBL29228412 0.90 KDM1A (0.37) KDM1AFFAR1PPARDNAAAKDM4E
SCHEMBL29121308 0.89 KDM1A (0.36) KDM1ANAAAKDM4EALDH1A1MAPT
SCHEMBL28828658 0.89 KDM1A (0.36) KDM1ANAAAKDM4EALDH1A1MAPT
SCHEMBL29121312 0.88 ALDH1A1 (0.36) KDM4EALDH1A1MAPTHTTMAPK1
SCHEMBL29121288 0.88 TDP2 (0.43) FFAR1NAAAHTTMAPK1PTGS1
SCHEMBL28828443 0.88 ERN1 (0.39) KDM4EALDH1A1MAPTHTTMAPK1
SCHEMBL29121231 0.88 ERN1 (0.39) KDM4EALDH1A1MAPTHTTMAPK1

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