SCHEMBL27735454

SCHEMBL27735454

CN(C)c1ccc(C=C2C(=O)CC(C)(C)CC2=O)cc1.O=C1CCCC1=Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.64
▸ NPC1 O15118 4/20 0.64
▸ RAB9A P51151 4/20 0.64
▸ HPGD P15428 3/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ ALDH1A1 P00352 7/20 0.63
▸ KMT2A Q03164 6/20 0.63
▸ MEN1 O00255 5/20 0.63
▸ LMNA P02545 3/20 0.63
▸ HTT P42858 1/20 0.56
▸ CYP1A2 P05177 3/20 0.54
▸ APP P05067 3/20 0.49
▸ CRHBP P24387 2/20 0.47
▸ CRHR2 Q13324 2/20 0.47
▸ PKM P14618 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ EGFR P00533 1/20 0.45
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ F3 P13726 1/20 0.43

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
SCHEMBL2028301 0.83 APP (0.65) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10621315 0.82 MAPT (0.93) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL3738691 0.82 MAPT (0.93) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10021997 0.82 MAPT (0.93) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL4576499 0.79 MAPT (1.00) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL3742453 0.79 MAPT (1.00) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL5171393 0.78 MAPT (0.68) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2025945 0.78 ALDH1A1 (0.51) MAPTHPGDALDH1A1KMT2AMEN1
SCHEMBL812295 0.75 ALDH1A1 (1.00) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL1524525 0.75 ALDH1A1 (1.00) MAPTNPC1RAB9AHPGDSMN1; SMN2

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-101394830-A Cosmetic agents comprising purine and/or purine derivatives I HENKEL KGAA (DE) 2009-03-25 — — CN disclosed
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