SCHEMBL28828381

SCHEMBL28828381

Cc1ccc(-c2ccc3c(c2)C(OC(N)=O)C(C)(C)C3)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.34
DHODH Q02127 1/20 0.33
MCL1 Q07820 1/20 0.33
ICMT O60725 2/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
RARB P10826 2/20 0.31
RARG P13631 2/20 0.31
RARA P10276 1/20 0.31
RXRA P19793 1/20 0.31
PGR P06401 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31

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
SCHEMBL28828382 0.90 DHODH (0.36) KIF11DHODHMCL1ICMTPGR
SCHEMBL28950173 0.89 KLKB1 (0.36) PGR
SCHEMBL28828623 0.89 JAK2 (0.35) PGRJAK2JAK1TYK2JAK3
SCHEMBL28828684 0.85 KIF11 (0.43) KIF11DHODH
SCHEMBL28828657 0.85 PGR (0.34) PGR
SCHEMBL28828541 0.85 PGR (0.36) RXRAPGREDNRBEDNRA
SCHEMBL28828603 0.85 PGR (0.40) PGR
SCHEMBL28828437 0.85 PGR (0.34) PGR
SCHEMBL28828548 0.84 KDM4E (0.38) ALDH1A1ABL1KDM4EMEN1KMT2A
SCHEMBL28828530 0.83 F2R (0.40) ICMTPGR

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