SCHEMBL7658844

SCHEMBL7658844

Cc1c(NC(=O)CCC=O)ccc2nc(N[C@@H](Cc3ccccc3)C(=O)O)oc(=O)c12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 7/20 0.54
ELANE P08246 17/20 0.48
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6499604 0.92 CTRB1 (0.56) CTRB1ELANEMEN1ALDH1A1KMT2A
SCHEMBL6496779 0.86 CTRB1 (0.56) CTRB1ELANEMEN1ALDH1A1KMT2A
SCHEMBL7658836 0.85 CTRB1 (0.53) CTRB1ELANEMEN1ALDH1A1KMT2A
SCHEMBL6500859 0.85 CTRB1 (0.53) CTRB1ELANEMEN1ALDH1A1KMT2A
SCHEMBL7845338 0.84 ELANE (0.54) CTRB1ELANEMEN1KMT2A
SCHEMBL6507056 0.82 CTRB1 (0.51) CTRB1ELANEMEN1ALDH1A1KMT2A
SCHEMBL6496223 0.82 ELANE (0.72) CTRB1ELANEALDH1A1
SCHEMBL6498025 0.81 CTRB1 (0.47) CTRB1ELANEKMT2A
SCHEMBL6504063 0.81 CTRB1 (0.50) CTRB1ELANEALDH1A1KMT2A
SCHEMBL7839307 0.80 ELANE (0.55) CTRB1ELANEMEN1KMT2A

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-6380189-B1 FOR TREATING HERPES-RELATED DISORDERS G.D. SEARLE & CO. 2002-04-30 US disclosed