SCHEMBL8545838

SCHEMBL8545838

Cc1c(Br)ccc2oc(N[C@@H](C)C(=O)O)nc(=O)c12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.37
ALDH1A1 P00352 4/20 0.36
USP2 O75604 2/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CTRB1 P17538 7/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HTT P42858 1/20 0.30

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
SCHEMBL6505705 0.81 ELANE (0.49) ELANECTRB1
SCHEMBL6505013 0.81 ELANE (0.49) ELANECTRB1
SCHEMBL8545278 0.80 ELANE (0.47) ELANEALDH1A1USP2LMNAHSD17B10
SCHEMBL8551382 0.80 ELANE (0.47) ELANEALDH1A1USP2LMNAHSD17B10
SCHEMBL8543203 0.77 CTRB1 (0.57) ELANECTRB1CA12CA1CA9
SCHEMBL8546542 0.74 ELANE (0.42) ELANEALDH1A1LMNAHSD17B10CTRB1
SCHEMBL11100838 0.71 RAB9A (0.51) ALDH1A1HSD17B10
SCHEMBL8548636 0.71 MMP12 (0.41) ALDH1A1CTRB1CA12CA1CA2
SCHEMBL16972931 0.69 NPC1 (0.54) ELANEALDH1A1USP2LMNAHSD17B10
SCHEMBL11099522 0.69 NPC1 (0.54) ELANEALDH1A1USP2LMNAHSD17B10

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-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 EP disclosed