SCHEMBL5915378

SCHEMBL5915378

COc1ccc(C(=O)C=Cc2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.72
▸ KDM4E B2RXH2 3/20 0.72
▸ ALDH1A1 P00352 3/20 0.72
▸ RECQL P46063 1/20 0.72
▸ KEAP1 Q14145 2/20 0.70
▸ NFE2L2 Q16236 2/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ TSHR P16473 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ EPAS1 Q99814 1/20 0.62
▸ F3 P13726 2/20 0.61
▸ LMNA P02545 2/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ MAOB P27338 3/20 0.58
▸ MAOA P21397 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ RAB9A P51151 2/20 0.56
▸ HDAC3 O15379 1/20 0.56
▸ HDAC4 P56524 1/20 0.56

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
SCHEMBL5915510 1.00 MAPT (0.72) MAPTKDM4EALDH1A1RECQLKEAP1
SCHEMBL5915375 1.00 MAPT (0.72) MAPTKDM4EALDH1A1RECQLKEAP1
SCHEMBL5915521 0.88 F3 (0.64) MAPTKDM4EALDH1A1RECQLF3
SCHEMBL5915515 0.88 F3 (0.64) MAPTKDM4EALDH1A1RECQLF3
SCHEMBL5915758 0.88 F3 (0.64) MAPTKDM4EALDH1A1RECQLF3
SCHEMBL25192237 0.84 MAPT (0.78) MAPTKDM4EALDH1A1RECQLKEAP1
SCHEMBL16498460 0.84 MAPT (0.81) MAPTKDM4EALDH1A1RECQLKEAP1
SCHEMBL30383808 0.84 MAPT (0.78) MAPTKDM4EALDH1A1RECQLKEAP1
SCHEMBL16498462 0.84 MAPT (0.81) MAPTKDM4EALDH1A1RECQLKEAP1
SCHEMBL31233174 0.84 MAPT (0.81) MAPTKDM4EALDH1A1RECQLKEAP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052600-A1 Amino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-03-09 — — US claimed
US-20060052600-A1 Amino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-03-09 — — US disclosed
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