SCHEMBL8549802

SCHEMBL8549802

Cc1c(NC(=O)OC(C)(C)C)ccc2oc(N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)nc(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
ACE P12821 2/20 0.47
TP53 P04637 1/20 0.47
ELANE P08246 1/20 0.47
CTRB1 P17538 1/20 0.47
CTSL P07711 2/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TACR1 P25103 2/20 0.45
SSTR3 P32745 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
P4HB P07237 2/20 0.43

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
SCHEMBL6506692 0.89 CTRB1 (0.62) MAPTSMN1; SMN2PKMHPGDHTT
SCHEMBL8476287 0.81 CTRB1 (0.58) MAPTSMN1; SMN2ACETP53ELANE
SCHEMBL8545277 0.80 MAPT (0.59) MAPTSMN1; SMN2PKMHPGDHTT
SCHEMBL8549764 0.80 ELANE (0.47) ACEELANECTRB1CTSSCTSK
SCHEMBL8543203 0.77 CTRB1 (0.57) MAPTHPGDELANECTRB1KDM4E
SCHEMBL6499875 0.77 ELANE (0.67) ELANECTRB1CTSSCTSK
SCHEMBL6496223 0.73 ELANE (0.72) MAPTPKMHPGDHTTACE
SCHEMBL1003555 0.73 ACE (0.77) MAPTSMN1; SMN2ACETP53CTSL
SCHEMBL850438 0.73 ACE (0.77) MAPTSMN1; SMN2ACETP53CTSL
SCHEMBL1486167 0.73 ACE (0.77) MAPTSMN1; SMN2ACETP53CTSL

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