SCHEMBL23339896

SCHEMBL23339896

CCc1cccc(CC)c1-c1ccc(Cl)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ EGLN2 Q96KS0 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ PTGS2 P35354 2/20 0.38
▸ KMO O15229 2/20 0.37
▸ GRM2 Q14416 2/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ CSNK2A3 Q8NEV1 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL30213190 0.77 HSD11B1 (0.42) EGLN2PTGS2KMOGRM2HSD11B1
SCHEMBL140474 0.75 HTR2A (0.45) SLC6A2SLC6A4KCNH2SLC6A3GRM2
SCHEMBL8974517 0.75 KMO (0.42) EGLN2PTGS2KMOGRM2HSD11B1
SCHEMBL6832589 0.73 KCNH2 (0.44) SLC6A2SLC6A4KCNH2ALDH1A1HPGD
SCHEMBL32669582 0.73 KCNH2 (0.44) SLC6A2SLC6A4KCNH2ALDH1A1HPGD
SCHEMBL21108846 0.73 EGLN2 (0.42) EGLN2KMOGRM2HSD11B1ALDH1A1
SCHEMBL21108850 0.72 TGFBR1 (0.42) SLC6A2SLC6A4KCNH2EGLN2SLC6A3
SCHEMBL13220505 0.72 ALOX5AP (0.41) PTGS2GRM2
SCHEMBL23638850 0.72 S100A4 (0.46) EGLN2KMOGRM2HSD11B1PDK2
SCHEMBL30598347 0.72 S100A4 (0.46) EGLN2KMOGRM2HSD11B1PDK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021085969-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC ELEMENT, COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2021-05-06 — — WO disclosed
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