SCHEMBL30940184

SCHEMBL30940184

CC(C)(C)c1cccc2c1oc1c(Nc3cc(Cl)cc(Nc4cccc5c4oc4c(C(C)(C)C)cccc45)c3)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.33
▸ PTK6 Q13882 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ AHR P35869 2/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ EPAS1 Q99814 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 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
SCHEMBL22936642 1.00 FADS1 (0.38) FADS1ALDH1A1PTK6LMNASMN1; SMN2
SCHEMBL15852948 0.83 GAA (0.49) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL20984008 0.81 NPSR1 (0.41) SMN1; SMN2KMT2AMEN1PTGS1PTGS2
SCHEMBL29470081 0.81 NPSR1 (0.41) SMN1; SMN2KMT2AMEN1PTGS1PTGS2
SCHEMBL23967732 0.80 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL31405538 0.78 KMT2A (0.39) FADS1ALDH1A1PTK6LMNASMN1; SMN2
SCHEMBL31405537 0.78 KMT2A (0.39) FADS1ALDH1A1PTK6LMNASMN1; SMN2
SCHEMBL18101710 0.77 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL29458672 0.77 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL21111351 0.75 CA2 (0.46) ALDH1A1KMT2AMEN1AHRCYP2C19

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
CN-113454092-B Compound and organic light emitting device comprising the same 株式会社LG化学 2024-06-14 — — CN disclosed
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