SCHEMBL29228388

SCHEMBL29228388

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.38
PPARA Q07869 2/20 0.38
RORC P51449 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34
S1PR1 P21453 1/20 0.34
KMT2A Q03164 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL29228259 0.92 CSNK2A1 (0.37) PPARAPPARGPPARD
SCHEMBL29228413 0.91 PPARA (0.40) PPARAALDH1A1S1PR1PPARGPPARD
SCHEMBL29121231 0.90 ERN1 (0.39) ERN1PPARARORCSMN1; SMN2LMNA
SCHEMBL28828443 0.90 ERN1 (0.39) ERN1PPARARORCSMN1; SMN2LMNA
SCHEMBL29228281 0.89 PTGS2 (0.38) LMNAS1PR1KMT2AMEN1PTGS1
SCHEMBL29228412 0.88 KDM1A (0.37) ALDH1A1MAPTCYP1A2CYP2C19KCNH2
SCHEMBL29228228 0.86 SLC6A3 (0.36)
SCHEMBL27200846 0.86 KMO (0.39) PPARARORCLMNAS1PR1KMT2A
SCHEMBL29121303 0.86 KMO (0.39) PPARARORCLMNAS1PR1KMT2A
SCHEMBL29121198 0.85 PPARD (0.40) PPARAALDH1A1PPARGPPARD

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-114746422-B Derivatives having 1,2,3, 4-tetrahydronaphthalene moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-03-12 CN claimed
CN-114746422-A Novel derivatives having 1,2,3, 4-tetrahydronaphthalene moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2022-07-12 CN claimed
CN-114746422-B Derivatives having 1,2,3, 4-tetrahydronaphthalene moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-03-12 CN disclosed
CN-114746422-A Novel derivatives having 1,2,3, 4-tetrahydronaphthalene moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2022-07-12 CN disclosed