SCHEMBL10419558

SCHEMBL10419558

C=CCOC(=O)O[C@H](C)[C@H]1C(=O)N2C(C(=O)OCC=C)=C(COc3ccccc3)S[C@H]12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.49
CASP1 P29466 2/20 0.38
FAAH O00519 3/20 0.36
MGLL Q99685 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL10418947 0.92 ELANE (0.42) ELANEMEN1KMT2A
SCHEMBL10418966 0.92 ELANE (0.42) ELANECASP1MEN1KMT2A
SCHEMBL10419560 0.91 ELANE (0.43) ELANEFAAHMEN1KMT2A
SCHEMBL10419983 0.90 ELANE (0.45) ELANEFAAHMEN1KMT2A
SCHEMBL10418949 0.88 ELANE (0.40) ELANECASP1MEN1KMT2A
SCHEMBL10418978 0.88 ELANE (0.41) ELANECASP1FAAHMEN1KMT2A
SCHEMBL10418979 0.86 FAAH (0.42) ELANECASP1FAAHMEN1KMT2A
SCHEMBL8798885 0.84 ELANE (0.42) ELANEFAAH
SCHEMBL10418686 0.82 ELANE (0.56) ELANECASP1
SCHEMBL10418688 0.82 ELANE (0.35) ELANEMEN1KMT2A

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-4965260-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1990-10-23 US disclosed