SCHEMBL28828756

SCHEMBL28828756

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
PPARD Q03181 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAP4K4 O95819 1/20 0.36
IKBKB O14920 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 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
SCHEMBL28828407 0.92 RXRA (0.36) CHRNB2CHRNA4PPARD
SCHEMBL28828554 0.91 F2 (0.41) IKBKBHDAC4HDAC8EDNRBEDNRA
SCHEMBL28828516 0.90 PPARD (0.40) PPARDALDH1A1
SCHEMBL28950171 0.89 RARB (0.37) TSHRPPARDMAPTHSD17B10
SCHEMBL28828421 0.89 PDE4B (0.40) HPGDLMNAKDM4EALDH1A1MEN1
SCHEMBL28828587 0.88 CYP1A1 (0.42) KDM4ESMN1; SMN2
SCHEMBL28828749 0.88 FFAR4 (0.39) MEN1KMT2A
SCHEMBL28828711 0.87 TDP2 (0.43) PPARDHDAC4HDAC2HDAC8KDM4E
SCHEMBL28828439 0.87 PPARA (0.36) PPARDNPC1RAB9AIKBKBTP53
SCHEMBL28828450 0.87 KDM1A (0.36) NPC1RAB9AHDAC2KDM4EMAPT

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