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SCHEMBL20107140

SCHEMBL20107140

Cc1cccc2c1c1ccccc1n2-c1cccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c3ccc4ccc(-c5ccc(C(C)(C)C)cc5)c5ccc2c3c45)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PPARG P37231 3/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ GPR84 Q9NQS5 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
SCHEMBL9920789 0.92 ALDH1A1 (0.37) ALDH1A1MAPTMAPK1NPSR1PPARG
SCHEMBL9920732 0.89 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1NPSR1PPARG
SCHEMBL9920738 0.86 ALDH1A1 (0.38) ALDH1A1MAPTMAPK1NPSR1PPARG
SCHEMBL9920669 0.83 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1NPSR1PPARG
SCHEMBL9920792 0.82 ALDH1A1 (0.36) ALDH1A1MAPTNPSR1
SCHEMBL9920986 0.81 HTR7 (0.38) ALDH1A1PPARGPPARA
SCHEMBL9921042 0.81 KDM4E (0.36) ALDH1A1MAPTMAPK1NPSR1PPARG
SCHEMBL9920964 0.81 L3MBTL1 (0.44) ALDH1A1MAPT
SCHEMBL9920790 0.81 L3MBTL1 (0.44) ALDH1A1MAPT
SCHEMBL9939617 0.81 L3MBTL1 (0.42) ALDH1A1MAPT

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-2463352-B1 Light emitting device material and light emitting device TORAY INDUSTRIES (JP) 2018-05-02 — — EP disclosed