SCHEMBL9506122

SCHEMBL9506122

CCCCCCCCCCCC=Cc1cccc(C(=O)N(C)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
PPARA Q07869 2/20 0.39
MMP2 P08253 2/20 0.38
F7 P08709 2/20 0.38
F3 P13726 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ECE1 P42892 1/20 0.38
SGMS1 Q86VZ5 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
MUS81 Q96NY9 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
SOAT2 O75908 1/20 0.38
SOAT1 P35610 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
STS P08842 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL9508853 1.00 BACE1 (0.42) BACE1PPARAMMP2F7F3
SCHEMBL9508857 1.00 BACE1 (0.42) BACE1PPARAMMP2F7F3
SCHEMBL9506893 1.00 BACE1 (0.42) BACE1PPARAMMP2F7F3
SCHEMBL9504740 1.00 BACE1 (0.42) BACE1PPARAMMP2F7F3
SCHEMBL9506118 1.00 BACE1 (0.42) BACE1PPARAMMP2F7F3
SCHEMBL9506890 1.00 BACE1 (0.42) BACE1PPARAMMP2F7F3
SCHEMBL9504758 1.00 BACE1 (0.42) BACE1PPARAMMP2F7F3
SCHEMBL9506056 0.99 BACE1 (0.43) BACE1PPARAMMP2F7F3
SCHEMBL9506052 0.99 BACE1 (0.43) BACE1PPARAMMP2F7F3
SCHEMBL9506061 0.84 STS (0.51) PPARAMMP2F7F3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed