SCHEMBL8942609

SCHEMBL8942609

C[C@@H](CNC(N)=O)N(O)C(=O)c1ccc(Oc2ccc(F)cc2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.52
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL8942778 0.89 ALDH1A1 (0.42) ALOX5CARM1PRMT6MAPTALDH1A1
SCHEMBL8942588 0.89 ALDH1A1 (0.42) ALOX5CARM1PRMT6MAPTALDH1A1
SCHEMBL8783087 0.85 ALOX5 (0.56) ALOX5CARM1PRMT6MAPTALDH1A1
SCHEMBL8783317 0.85 ALOX5 (0.56) ALOX5CARM1PRMT6MAPTALDH1A1
SCHEMBL8783077 0.85 ALOX5 (0.56) ALOX5CARM1PRMT6MAPTALDH1A1
SCHEMBL8942397 0.83 ALOX5 (0.52) ALOX5CARM1PRMT6
SCHEMBL8942621 0.83 ALOX5 (0.52) ALOX5CARM1PRMT6
SCHEMBL8942835 0.83 ALOX5 (0.52) ALOX5CARM1PRMT6
SCHEMBL8942749 0.81 ALOX5 (0.48) ALOX5CARM1PRMT6MEN1KMT2A
SCHEMBL8942311 0.80 ALOX5 (0.49) ALOX5MAPTALDH1A1

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
US-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed