SCHEMBL8942588

SCHEMBL8942588

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
ALOX5 P09917 9/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPY5R Q15761 1/20 0.39
P2RX3 P56373 2/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
ACACB O00763 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 1.00 ALDH1A1 (0.42) ALDH1A1MAPTALOX5CYP2C9CYP2C19
SCHEMBL8942609 0.89 ALOX5 (0.52) ALDH1A1MAPTALOX5CYP2C9CYP2C19
SCHEMBL8942383 0.80 ALDH1A1 (0.45) ALDH1A1MAPTALOX5CYP2C9CYP2C19
SCHEMBL8783317 0.74 ALOX5 (0.56) ALDH1A1MAPTALOX5CYP2C9CYP2C19
SCHEMBL8783087 0.74 ALOX5 (0.56) ALDH1A1MAPTALOX5CYP2C9CYP2C19
SCHEMBL8783077 0.74 ALOX5 (0.56) ALDH1A1MAPTALOX5CYP2C9CYP2C19
SCHEMBL8942397 0.72 ALOX5 (0.52) ALOX5CARM1PRMT6ACACB
SCHEMBL8782265 0.72 ALDH1A1 (0.47) ALDH1A1MAPTALOX5NPY5RP2RX3
SCHEMBL8783375 0.72 ALDH1A1 (0.47) ALDH1A1MAPTALOX5NPY5RP2RX3
SCHEMBL8782267 0.72 ALDH1A1 (0.47) ALDH1A1MAPTALOX5NPY5RP2RX3

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