SCHEMBL7840487

SCHEMBL7840487

COc1ccc(C[C@H](Nc2nc3ccc(CNC(=O)O)c(C)c3c(=O)o2)C(=O)NC(C)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 6/20 0.53
ELANE P08246 14/20 0.47
GPR139 Q6DWJ6 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
MMP1 P03956 1/20 0.38

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
SCHEMBL7839987 0.91 CTRB1 (0.46) CTRB1ELANEKMT2AMMP1
SCHEMBL7844510 0.88 CTRB1 (0.45) CTRB1ELANEGPR139ALDH1A1KMT2A
SCHEMBL7813812 0.84 CTRB1 (0.52) CTRB1ELANEGPR139ALDH1A1KMT2A
SCHEMBL7845411 0.84 ELANE (0.46) CTRB1ELANEALDH1A1
SCHEMBL6498129 0.83 ELANE (0.44) CTRB1ELANE
SCHEMBL7829580 0.82 ELANE (0.43) CTRB1ELANEALDH1A1KMT2A
SCHEMBL6500847 0.82 ELANE (0.45) CTRB1ELANE
SCHEMBL7840950 0.81 CTRB1 (0.43) CTRB1ELANEKMT2A
SCHEMBL7831962 0.80 CTRB1 (0.42) CTRB1ELANEALDH1A1KMT2A
SCHEMBL7840282 0.79 ELANE (0.40) CTRB1ELANEKMT2A

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-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP disclosed