SCHEMBL7960490

SCHEMBL7960490

CC(C)C(C(=O)C(F)(F)C(F)(F)F)N1CCC[C@H]1C(=O)NC(=O)[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)nc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.51
SMN1; SMN2 Q16637 1/20 0.41
CTSG P08311 1/20 0.39
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
ADRA1A P35348 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
NR3C1 P04150 2/20 0.33
PGR P06401 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7370365 0.91 ELANE (0.60) ELANECTSGMALT1NR3C1
SCHEMBL7963862 0.89 ELANE (0.58) ELANECTSGMALT1NR3C1
SCHEMBL6744559 0.89 ELANE (0.58) ELANECTSGMALT1NR3C1L3MBTL3
SCHEMBL7964090 0.85 ELANE (0.51) ELANESMN1; SMN2CTSG
SCHEMBL7861404 0.85 ELANE (0.59) ELANECTSGMALT1NR3C1PGR
SCHEMBL7339336 0.84 ELANE (0.64) ELANECTSGMALT1NR3C1L3MBTL3
SCHEMBL8430121 0.84 ELANE (0.61) ELANECTSGMALT1NR3C1
SCHEMBL7278895 0.82 KMT2A (0.50) ELANESMN1; SMN2CTSGL3MBTL1
SCHEMBL7952508 0.82 ELANE (0.48) ELANECTSG
SCHEMBL7960491 0.81 ELANE (0.75) ELANESMN1; SMN2CTSGMALT1

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-6265381-B1 MORPHOLINOUREA AND RELATED DERIVATIVES OF PENTAFLUOROETHYL PEPTIDES MERRELL PHARMACEUTICALS, INC. 2001-07-24 US disclosed