SCHEMBL28828581

SCHEMBL28828581

CC1(C)Cc2ccc(-c3ccccc3Cl)cc2C1OC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 5/20 0.38
PGR P06401 2/20 0.37
FFAR2 O15552 1/20 0.37
ABL1 P00519 1/20 0.36
DHODH Q02127 1/20 0.36
LRRK2 Q5S007 1/20 0.35
PDK2 Q15119 1/20 0.35
SCN9A Q15858 3/20 0.35

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
SCHEMBL28828661 0.91 SCN9A (0.37) FABP4PGRFFAR2ABL1DHODH
SCHEMBL29228303 0.89 FABP4 (0.41) FABP4PGRFFAR2ABL1DHODH
SCHEMBL28950167 0.88 SLC9A1 (0.37) FABP4
SCHEMBL28828427 0.86 HTR2C (0.39) PGRABL1LRRK2PDK2
SCHEMBL28828603 0.85 PGR (0.40) PGR
SCHEMBL28828369 0.84 SCN9A (0.41) SCN9A
SCHEMBL28828623 0.83 JAK2 (0.35) PGR
SCHEMBL28828373 0.83 PGR (0.43) PGR
SCHEMBL28828541 0.82 PGR (0.36) PGR
SCHEMBL29228364 0.82 DHODH (0.39) FABP4FFAR2ABL1DHODHPDK2

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