SCHEMBL28828443

SCHEMBL28828443

CCOc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.39
RORC P51449 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 4/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MEN1 O00255 3/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL29121231 1.00 ERN1 (0.39) ERN1RORCSMN1; SMN2LMNAMAPT
SCHEMBL28828435 0.92 CSNK2A1 (0.39) MAPTHSD17B10
SCHEMBL29121322 0.92 CSNK2A1 (0.39) MAPTHSD17B10
SCHEMBL28828441 0.91 BACE1 (0.39) SMN1; SMN2ALDH1A1L3MBTL1TDP1PPARA
SCHEMBL29121332 0.91 BACE1 (0.39) SMN1; SMN2ALDH1A1L3MBTL1TDP1PPARA
SCHEMBL29228388 0.90 ERN1 (0.38) ERN1RORCSMN1; SMN2LMNAMAPT
SCHEMBL29121357 0.89 KMO (0.45) HPGDPPARA
SCHEMBL29121312 0.88 ALDH1A1 (0.36) SMN1; SMN2LMNAMAPTALDH1A1KDM4E
SCHEMBL29121269 0.88 PTGS2 (0.39) LMNAMAPTKMT2AMEN1MAPK1
SCHEMBL28828534 0.88 PTGS2 (0.39) LMNAMAPTKMT2AMEN1MAPK1

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