SCHEMBL28950171

SCHEMBL28950171

CCCOc1ccc(-c2ccc3c(c2)CC(CC)(CC)C3OC(N)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.37
RARA P10276 1/20 0.37
ACACB O00763 4/20 0.37
ACACA Q13085 4/20 0.37
PPARD Q03181 2/20 0.37
TSHR P16473 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA12 O43570 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
HSD17B10 Q99714 1/20 0.35
ERN1 O75460 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
SCHEMBL28828516 0.92 PPARD (0.40) PPARD
SCHEMBL28828488 0.89 ACACB (0.37) RARBRARAACACBACACAPPARD
SCHEMBL28828756 0.89 CHRNB2 (0.39) PPARDTSHRMAPTHSD17B10
SCHEMBL28828406 0.88 GSTA1 (0.32) CA1CA2CA7CA9CA14
SCHEMBL28828749 0.86 FFAR4 (0.39)
SCHEMBL28828627 0.86 MCL1 (0.38) RARBRARAACACBACACA
SCHEMBL28828450 0.85 KDM1A (0.36) MAPT
SCHEMBL28828439 0.85 PPARA (0.36) PPARD
SCHEMBL29121177 0.85 PPARD (0.38) RARBRARAACACBACACAPPARD
SCHEMBL28828372 0.85 RARB (0.40) RARBRARAPPARD

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