SCHEMBL8446167

SCHEMBL8446167

C=CC(=O)NC(C)(C)c1ccc(CC(=O)OCCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP4Z1 Q86W10 1/20 0.37
GAA P10253 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
PDE4A P27815 1/20 0.35
HIF1A Q16665 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KLK7 P49862 1/20 0.34

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
SCHEMBL18338889 0.78 LMNA (0.58) MAPTSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL8447078 0.76 MAPT (0.46) MAPTSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL22541478 0.74 CYP1A1 (0.45) MAPTSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL7868598 0.72 ALDH1A1 (0.44) ACACBMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL20763059 0.72 MAPT (0.40) ACACBMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL8446828 0.71 TBXAS1 (0.55) MAPTSMN1; SMN2LMNAGAAPOLB
SCHEMBL22676053 0.70 TGM2 (0.51) MAPTSMN1; SMN2LMNAALDH1A1CYP3A4
SCHEMBL7879580 0.70 POLB (0.45) SMN1; SMN2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8447075 0.70 TBXAS1 (0.44) MAPTSMN1; SMN2LMNAALDH1A1CYP3A4
SCHEMBL1885468 0.70 ALDH1A1 (0.58) SMN1; SMN2LMNAALDH1A1CYP2C19GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618907-B1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS BRITISH TECH GROUP INT (GB) 1999-04-28 EP disclosed
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US disclosed
EP-0618907-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013075-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed