SCHEMBL28828604

SCHEMBL28828604

CC1(C)Cc2cc(-c3ccc(F)c(F)c3)ccc2C1OC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP11B2 P19099 2/20 0.33
IDO1 P14902 1/20 0.33
PGR P06401 1/20 0.32
F2R P25116 1/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
CYP11B1 P15538 1/20 0.31
PTGS2 P35354 2/20 0.31
PTGS1 P23219 1/20 0.31
ARNT P27540 1/20 0.31
EPAS1 Q99814 1/20 0.31
WNT1 P04628 1/20 0.30
DYRK1A Q13627 1/20 0.30
CREBBP Q92793 1/20 0.30
CCR2 P41597 1/20 0.30

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
SCHEMBL28828667 0.91 SLC6A3 (0.37) F2RHDAC1CREBBP
SCHEMBL28828388 0.91 DAPK3 (0.38) CYP11B2F2RCYP11B1PTGS2PTGS1
SCHEMBL28828437 0.90 PGR (0.34) CYP17A1CYP3A4CYP11B2IDO1PGR
SCHEMBL28828686 0.90 SIRT1 (0.36) CYP11B2CYP11B1
SCHEMBL28828601 0.90 TDP2 (0.39) PGRHDAC1HDAC2PTGS2PTGS1
SCHEMBL28828426 0.89 KDM1A (0.39) CYP17A1CYP3A4CYP11B2F2RHDAC1
SCHEMBL29121288 0.89 TDP2 (0.43) CYP3A4CYP11B2CYP11B1PTGS2PTGS1
SCHEMBL29121267 0.89 SLC9A1 (0.33) F2R
SCHEMBL28828429 0.88 KDM1A (0.33) PTGS2
SCHEMBL28828556 0.88 F2R (0.35) PGRF2RWNT1DYRK1A

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