SCHEMBL8615680

SCHEMBL8615680

CC(C)c1cc(OCCCCCC(=O)O)cc2c1C(=O)N(C(Oc1cc(C(F)(F)F)n[nH]1)c1ccccc1)S2(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.34
GNRHR P30968 2/20 0.34
CYP3A4 P08684 1/20 0.33
PDK2 Q15119 1/20 0.32
LTB4R Q15722 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
SCHEMBL8609833 0.97 ELANE (0.35) ELANEGNRHRCYP3A4PDK2
SCHEMBL7399082 0.89 ELANE (0.37) ELANEPDK2
SCHEMBL7405849 0.89 ELANE (0.33) ELANE
SCHEMBL8614061 0.86 ELANE (0.42) ELANE
SCHEMBL8615757 0.85 ELANE (0.33) ELANE
SCHEMBL7401912 0.83 ELANE (0.37) ELANE
SCHEMBL7408952 0.83 ELANE (0.33) ELANE
SCHEMBL7410357 0.78 PDK2 (0.32) GNRHRPDK2LTB4R
SCHEMBL8609845 0.74 ELANE (0.44) ELANE
SCHEMBL8609100 0.74 ELANE (0.44) ELANE

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-5750550-A RESPIRATORY SYSTEM DISORDERS SANOFI (FR) 1998-05-12 US disclosed