SCHEMBL11533686

SCHEMBL11533686

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

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL11530906 0.90 PLA2G4A (0.33) PLA2G4A
SCHEMBL11529943 0.90 ELANE (0.36) ALDH1A1
SCHEMBL11528881 0.89 KDM5A (0.36) PLA2G4AALDH1A1
SCHEMBL11528434 0.86 ELANE (0.36) ALDH1A1KDM4E
SCHEMBL11531654 0.84 TP53 (0.38) ALDH1A1
SCHEMBL11533073 0.84 GPR84 (0.41) ALDH1A1
SCHEMBL11528080 0.83 LTB4R2 (0.46)
SCHEMBL11534629 0.81 MLYCD (0.35) ALDH1A1
SCHEMBL11533525 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL11530712 0.80 ALDH1A1 (0.37) ALDH1A1

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