SCHEMBL3561646

SCHEMBL3561646

CCC(C)c1ccc(-c2ccc(-c3ccc(C)cc3)c3nsnc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA4 P48058 1/20 0.36
▸ STAT3 P40763 1/20 0.35
▸ ACHE P22303 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ GCGR P47871 1/20 0.32
▸ TSHR P16473 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ USP2 O75604 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ PKM P14618 1/20 0.31

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
SCHEMBL12348738 0.89 RAB9A (0.34) TSHRALDH1A1CYP2C9USP2GAA
SCHEMBL862821 0.82 COMT (0.40) ACHELMNATSHRALDH1A1USP2
SCHEMBL20806202 0.80 COMT (0.39) ACHELMNATSHRALDH1A1USP2
SCHEMBL19187759 0.78 GRIA4 (0.51) GRIA4STAT3ACHETSHRALDH1A1
SCHEMBL21919586 0.78 GRIA4 (0.40) GRIA4STAT3ACHELMNAAKR1C3
SCHEMBL190310 0.76 ACHE (0.50) GRIA4STAT3ACHETSHRALDH1A1
SCHEMBL5490041 0.76 ACHE (0.50) GRIA4STAT3ACHETSHRALDH1A1
SCHEMBL6327571 0.76 ACHE (0.50) GRIA4STAT3ACHETSHRALDH1A1
SCHEMBL13958188 0.75 LMNA (0.42) LMNATSHRALDH1A1USP2GAA
SCHEMBL12621114 0.74 GRIA4 (0.41) GRIA4STAT3ACHELMNADHODH

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
EP-1829129-B1 LIGHT EMISSIVE DEVICE CDT OXFORD LTD (GB) 2012-04-25 — — EP disclosed
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