SCHEMBL28828618

SCHEMBL28828618

COc1cc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.45
RXRB P28702 3/20 0.45
RXRG P48443 2/20 0.45
KDM1A O60341 1/20 0.37
CCR2 P41597 3/20 0.36
ADCY8 P40145 2/20 0.35
ADCY1 Q08828 2/20 0.35
EPHX2 P34913 1/20 0.35
RORC P51449 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
KIF11 P52732 2/20 0.33
SLC9A1 P19634 1/20 0.33
F2 P00734 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 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
SCHEMBL28828744 0.90 RXRA (0.39) RXRASLC9A1F2
SCHEMBL28828546 0.89 RXRA (0.48) RXRARXRBRXRGCCR2RORC
SCHEMBL28828477 0.88 RXRA (0.40) RXRARXRBRXRGRORCKIF11
SCHEMBL28828690 0.87 CTSD (0.38) RXRAKDM1ARORCFFAR4F2
SCHEMBL28828457 0.86 KIF11 (0.44) KDM1APLGPLAUPLATKIF11
SCHEMBL28828662 0.86 KIF11 (0.43) CCR2KIF11SLC9A1
SCHEMBL28828445 0.85 RXRA (0.32) RXRARXRBRXRGFFAR4KIF11
SCHEMBL28828539 0.84 F2 (0.42) PLGPLAUPLATSLC9A1F2
SCHEMBL28828363 0.84 CHRNB2 (0.39)
SCHEMBL28828519 0.82 ITGB2 (0.36) RXRARXRBRXRGSLC9A1

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