SCHEMBL28828455

SCHEMBL28828455

COCc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WRN Q14191 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ERN1 O75460 1/20 0.33
KCNH2 Q12809 1/20 0.33
ATM Q13315 1/20 0.33
CYP11B2 P19099 1/20 0.33
MPL P40238 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
FAAH O00519 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
VCAM1 P19320 1/20 0.31
F2R P25116 1/20 0.31
PTGS2 P35354 1/20 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
SCHEMBL28828536 0.88 EDNRB (0.36) WRNPTGS2
SCHEMBL28828411 0.88 GPR88 (0.33) GPR88
SCHEMBL29121294 0.86 MCL1 (0.39) MPL
SCHEMBL28828409 0.86 MCL1 (0.39) MPL
SCHEMBL28828404 0.85 EPHX1 (0.36) LMNAPTGS2
SCHEMBL29121316 0.85 EPHX1 (0.36) LMNAPTGS2
SCHEMBL28828363 0.85 CHRNB2 (0.39) LMNA
SCHEMBL28828382 0.84 DHODH (0.36)
SCHEMBL28828438 0.84 FYN (0.40)
SCHEMBL28828640 0.83 SIRT2 (0.36)

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