SCHEMBL8545895

SCHEMBL8545895

Cc1cccc2oc(N[C@@H](Cc3ccccc3)C(=O)O)nc(=O)c12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ELANE P08246 8/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CTRB1 P17538 3/20 0.41
MCL1 Q07820 1/20 0.41
PPARG P37231 3/20 0.40
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NPR3 P17342 1/20 0.39
POLB P06746 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL8549203 0.87 TTR (0.41) ALDH1A1KMT2AMEN1ELANEL3MBTL1
SCHEMBL8549933 0.83 ELANE (0.44) ELANECTRB1
SCHEMBL27493723 0.83 ELANE (0.62) ELANECTRB1
SCHEMBL6499915 0.83 ELANE (0.62) ELANECTRB1
SCHEMBL8545872 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1ELANEL3MBTL1
SCHEMBL8545277 0.82 MAPT (0.59) ALDH1A1KMT2AMEN1LMNAALOX15
SCHEMBL8545278 0.81 ELANE (0.47) ALDH1A1ELANECTRB1LMNA
SCHEMBL8551382 0.81 ELANE (0.47) ALDH1A1ELANECTRB1LMNA
SCHEMBL8546638 0.79 ELANE (0.45) ALDH1A1KMT2AELANECTRB1
SCHEMBL8549217 0.78 ELANE (0.41) ALDH1A1KMT2AMEN1ELANECTRB1

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