SCHEMBL28828407

SCHEMBL28828407

CCC1(CC)Cc2cc(-c3cc(OC)cc(OC)c3)ccc2C1OC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
ABL1 P00519 4/20 0.36
ABCB1 P08183 4/20 0.36
BCR P11274 4/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP4B1 P13584 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP3A5 P20815 1/20 0.35
CYP2A7 P20853 1/20 0.35
CYP3A7 P24462 1/20 0.35
CYP2F1 P24903 1/20 0.35
CYP2C18 P33260 1/20 0.35
CYP2C19 P33261 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
SCHEMBL28828554 0.92 F2 (0.41) F2FFAR4FFAR1SLC10A2
SCHEMBL28828756 0.92 CHRNB2 (0.39) PPARDCHRNB2CHRNA4
SCHEMBL28828421 0.88 PDE4B (0.40)
SCHEMBL28828587 0.85 CYP1A1 (0.42) ABL1ABCB1CYP1A1CYP1A2CYP2E1
SCHEMBL28828744 0.85 RXRA (0.39) RXRAABL1ABCB1BCRCYP1A1
SCHEMBL28828472 0.85 RXRA (0.46) RXRAPPARDFFAR1
SCHEMBL28828516 0.84 PPARD (0.40) RXRAPPARD
SCHEMBL28828711 0.84 TDP2 (0.43) ABCB1PPARD
SCHEMBL28828450 0.84 KDM1A (0.36) CYP3A4
SCHEMBL28828439 0.84 PPARA (0.36) PPARD

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