SCHEMBL28828580

SCHEMBL28828580

CCOc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.36
MMP2 P08253 2/20 0.35
MMP3 P08254 2/20 0.35
KDM4C Q9H3R0 6/20 0.34
KDM6B O15054 5/20 0.34
PPARD Q03181 1/20 0.33
TP53 P04637 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL29121351 0.89 FFAR1 (0.40) FFAR1PPARDCA1CA2CA7
SCHEMBL28828394 0.89 DYRK1A (0.36) FFAR1MMP2MMP3TP53KDM4E
SCHEMBL28828590 0.87 PARP10 (0.39) PPARDTSHRKDM4EALDH1A1HPGD
SCHEMBL29121247 0.87 PARP10 (0.39) PPARDTSHRKDM4EALDH1A1HPGD
SCHEMBL28828395 0.87 FFAR4 (0.45) FFAR1PPARDCA1CA2CA7
SCHEMBL29121250 0.87 ACACB (0.39) MAPT
SCHEMBL28828550 0.85 RXRA (0.47) FFAR1GAAMAPT
SCHEMBL28828553 0.83 ABL1 (0.39) FFAR1
SCHEMBL28828575 0.83 KMT2A (0.36) PPARDCA1CA2CA7CA9
SCHEMBL29121312 0.82 ALDH1A1 (0.36) KDM4EALDH1A1GAAHPGDHSD17B10

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