SCHEMBL28828588

SCHEMBL28828588

CCC1(CC)Cc2cc(-c3ccc(C(C)C)cc3)ccc2C1OC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
KIF11 P52732 1/20 0.36
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
PPARA Q07869 4/20 0.34
PPARG P37231 3/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
PTGS2 P35354 3/20 0.32
NR1H4 Q96RI1 1/20 0.32
PTPN5 P54829 1/20 0.31
PPARD Q03181 1/20 0.31
POLB P06746 1/20 0.31
F2 P00734 2/20 0.30
F9 P00740 2/20 0.30
F10 P00742 2/20 0.30
PLAU P00749 2/20 0.30
PLAT P00750 2/20 0.30
F11 P03951 2/20 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
SCHEMBL28828629 0.92 RXRA (0.41) RXRARXRBRXRGMMP2MMP9
SCHEMBL28828665 0.88 RXRA (0.34) RXRARXRBRXRGMMP2MMP9
SCHEMBL28828549 0.87 MMP9 (0.36) MMP2MMP9PTGS2POLB
SCHEMBL28828749 0.87 FFAR4 (0.39) RXRARXRBPTPN5
SCHEMBL28828450 0.86 KDM1A (0.36) PPARAPPARGKLKB1
SCHEMBL28828439 0.86 PPARA (0.36) PPARAPPARGPTGS2PPARD
SCHEMBL28828465 0.86 KMO (0.38)
SCHEMBL28828756 0.85 CHRNB2 (0.39) PPARD
SCHEMBL28828627 0.84 MCL1 (0.38)
SCHEMBL28828516 0.84 PPARD (0.40) RXRARXRBPPARAPPARGPPARD

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