SCHEMBL17425151

SCHEMBL17425151

CC(C)[C@H](N)C(=O)N1CCCC1C(=O)N[C@@H](C)C(O)C(F)(F)C(=O)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.50
CTSG P08311 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CMA1 P23946 5/20 0.45
F2 P00734 2/20 0.45
FKBP1A P62942 1/20 0.45

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
SCHEMBL17425135 1.00 ELANE (0.50) ELANECTSGCYP3A4CYP2C9PKM
SCHEMBL10080265 0.94 ELANE (0.49) ELANECTSGCYP3A4CYP2C9PKM
SCHEMBL13339327 0.94 ELANE (0.49) ELANECTSGCYP3A4CYP2C9PKM
SCHEMBL13982029 0.88 ALDH1A1 (0.48) ELANECYP3A4CYP2C9PKMCYP2C19
SCHEMBL6595982 0.82 DPP3 (0.51) ELANECYP3A4CYP2C9PKMCYP2C19
SCHEMBL27598028 0.80 CYP3A4 (0.58) CYP3A4CYP2C9PKMCYP2C19ALDH1A1
SCHEMBL13036087 0.79 ELANE (0.58) ELANECMA1
SCHEMBL13339328 0.79 ELANE (0.58) ELANECMA1
SCHEMBL10571884 0.78 F2 (0.46) ELANECTSGCMA1F2FKBP1A
SCHEMBL10080266 0.78 ELANE (0.54) ELANECTSGCMA1

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
EP-2170270-B1 COMPOSITIONS FOR DELIVERING MEDICAMENTS INTO THE LUNGS, USES THEREOF PAKA PULMONARY PHARMACEUTICALS INC (US) 2016-01-13 EP disclosed