SCHEMBL30965327

SCHEMBL30965327

CCCC1=CC(=Nc2ccccc2)C(CCC)=CC1=Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TTR P02766 1/20 0.32
▸ NOS3 P29474 3/20 0.32
▸ NOS1 P29475 3/20 0.32
▸ NOS2 P35228 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ TP53 P04637 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
SCHEMBL30965318 0.83 TP53 (0.37) LMNAGAAALDH1A1MAPTMAPK1
SCHEMBL4403128 0.67 MAPK1 (0.41) LMNAGAAALDH1A1KDM4EMAPT
SCHEMBL53706 0.63 — —
Azobenzene SCHEMBL15261802 0.63 ALDH1A1 (0.71) ALDH1A1KDM4EMAPTMAPK1HTT
SCHEMBL12786219 0.63 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTMAPK1HTT
SCHEMBL875358 0.63 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTMAPK1HTT
SCHEMBL9491340 0.62 LMNA (0.38) LMNAALDH1A1MAPTMAPK1TTR
SCHEMBL29942277 0.61 ALDH1A1 (0.43) LMNAALDH1A1MAPTMAPK1HTT
SCHEMBL6209034 0.61 LMNA (0.34) LMNAGAAALDH1A1KDM4EMAPT
Benzene SCHEMBL3223041 0.60 TP53 (0.58) ALDH1A1HPGDTP53

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-118325078-A Preparation method and application of benzoquinone conjugated polymer 中国科学院宁波材料技术与工程研究所 2024-07-12 — — CN disclosed
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