SCHEMBL28828535

SCHEMBL28828535

COc1cc2c(cc1-c1cccc(CC(C)C)c1)CC(C)(C)C2OC(N)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.34
PLA2G10 O15496 3/20 0.33
PLA2G2A P14555 3/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G5 P39877 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
PLA2G12B Q9BX93 1/20 0.33
PLA2G12A Q9BZM1 1/20 0.33
PLA2G2F Q9BZM2 1/20 0.33
PLA2G3 Q9NZ20 1/20 0.33
PLA2G2E Q9NZK7 1/20 0.33
PLA2G2D Q9UNK4 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
LDHA P00338 1/20 0.32
CTSA P10619 2/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
FFAR1 O14842 2/20 0.32
PDE4D Q08499 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
SCHEMBL28828644 0.90 EPHX1 (0.35) LDHA
SCHEMBL28828531 0.90 LMNA (0.36) HTR7PLA2G2ACTSAFFAR1PDE4D
SCHEMBL29121158 0.88 PLA2G10 (0.33) PLA2G10PLA2G2APLA2G1BPLA2G5PLA2G2C
SCHEMBL28828659 0.88 PLA2G10 (0.33) PLA2G10PLA2G2APLA2G1BPLA2G5PLA2G2C
SCHEMBL28828451 0.87 CTSA (0.38) AKR1C3AKR1C2CTSAMTNR1B
SCHEMBL28828597 0.85 PRMT5 (0.37) CTSAFFAR1
SCHEMBL28828650 0.85 F10 (0.35) PLA2G10PLA2G2APLA2G1BPLA2G5PLA2G2C
SCHEMBL28828663 0.85 RXRA (0.36) AKR1C3AKR1C2
SCHEMBL28828506 0.84 CYP1A1 (0.40)
SCHEMBL28828464 0.84 F2R (0.39) CTSA

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