SCHEMBL28828702

SCHEMBL28828702

CC1(C)Cc2cc(-c3ccc(C4CC4)cc3)ccc2C1OC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
DGAT1 O75907 11/20 0.33
SOAT1 P35610 5/20 0.33
CYP2C9 P11712 2/20 0.32
FFAR1 O14842 1/20 0.32
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
APP P05067 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
FAAH O00519 1/20 0.30
CHRM2 P08172 1/20 0.30
DGAT2 Q96PD7 1/20 0.30
PDE10A Q9Y233 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL28828382 0.86 DHODH (0.36) PARP1CYP2C19
SCHEMBL28828640 0.85 SIRT2 (0.36) NPC1RAB9A
SCHEMBL28828426 0.85 KDM1A (0.39) CYP3A4
SCHEMBL28828698 0.85 IKBKB (0.38)
SCHEMBL28950179 0.85 CYP2C9 (0.35) NPC1RAB9ADGAT1SOAT1CYP2C9
SCHEMBL28828363 0.84 CHRNB2 (0.39) NPC1RAB9APARP1
SCHEMBL28828422 0.83 HDAC6 (0.36)
SCHEMBL28828366 0.83 DHODH (0.39)
SCHEMBL29121186 0.83 DHODH (0.39)
SCHEMBL28828509 0.83 MCL1 (0.34)

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