SCHEMBL11529943

SCHEMBL11529943

CCCCCC(=O)N(CCCC)c1nc(C)co1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
MLYCD O95822 1/20 0.34
KDM5A P29375 2/20 0.34
PHF8 Q9UPP1 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 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
SCHEMBL11528881 0.99 KDM5A (0.36) ELANEKDM5APHF8KDM4CALDH1A1
SCHEMBL11528434 0.96 ELANE (0.36) ELANEMLYCDALDH1A1TP53
SCHEMBL11530906 0.94 PLA2G4A (0.33)
SCHEMBL11531229 0.93 MLYCD (0.40) ELANEMLYCDTP53
SCHEMBL11531654 0.92 TP53 (0.38) ELANEMLYCDALDH1A1TP53
SCHEMBL11533073 0.91 GPR84 (0.41) KDM5APHF8KDM4CALDH1A1
SCHEMBL11534629 0.91 MLYCD (0.35) ELANEMLYCDALDH1A1TP53
SCHEMBL11533686 0.90 PLA2G4A (0.33) ALDH1A1
SCHEMBL11531155 0.90 ALDH1A1 (0.36) ALDH1A1TP53
SCHEMBL11537091 0.89 ELANE (0.37) ELANEALDH1A1TP53

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
US-4150143-A N-Substituted-acylamino-oxazoles as antiasthma agents LILLY INDUSTRIES LIMITED (GB) 1979-04-17 US disclosed
US-4143047-A 2-SULFINYL AND 2-SULFONYL OXAZOLES LILLY INDUSTRIES LIMITED (GB) 1979-03-06 US disclosed
US-4122183-A ANTIASTHMATIC LILLY INDUSTRIES LIMITED (GB) 1978-10-24 US disclosed