SCHEMBL5503903

SCHEMBL5503903

O=C1CSc2ccc(CN[C@@H]3CC[C@@H](C(=O)O)OC3)cc2N1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.41
KMT2A Q03164 4/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.39
GFER P55789 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 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
SCHEMBL5263446 0.85 HTT (0.49) HTTPOLBALDH1A1LMNAATM
SCHEMBL5260758 0.85 HTT (0.49) HTTPOLBALDH1A1LMNAATM
SCHEMBL5518283 0.82 HTT (0.46) HTTPOLBALDH1A1LMNAATM
SCHEMBL5252685 0.79 HTT (0.47) HTTPOLBALDH1A1LMNAATM
SCHEMBL2207701 0.77 MEN1 (0.40) POLBALDH1A1LMNAKMT2AMEN1
SCHEMBL2207704 0.77 MEN1 (0.40) POLBALDH1A1LMNAKMT2AMEN1
SCHEMBL22146133 0.76 ATM (0.45) HTTPOLBALDH1A1LMNAATM
SCHEMBL5254334 0.72 POLB (0.44) HTTPOLBALDH1A1LMNAATM
SCHEMBL5254332 0.72 POLB (0.44) HTTPOLBALDH1A1LMNAATM
SCHEMBL2205699 0.72 POLB (0.40) HTTPOLBALDH1A1LMNAATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP claimed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO claimed