SCHEMBL9702002

SCHEMBL9702002

COc1cc(C(=O)N(C(C)CI)C(C)CI)ccc1OCCCCCOc1ccc(C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.61
LTB4R2 Q9NPC1 1/20 0.55
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PLA2G4B P0C869 1/20 0.45
MAOB P27338 2/20 0.45
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
ELANE P08246 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PRSS1 P07477 2/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL8748091 0.90 LTB4R (0.74) LTB4RLTB4R2MAPTALDH1A1PLA2G4B
SCHEMBL8747939 0.90 LTB4R (0.74) LTB4RLTB4R2MAPTALDH1A1PLA2G4B
SCHEMBL8748088 0.89 LTB4R (0.72) LTB4RLTB4R2MAPTALDH1A1PLA2G4B
SCHEMBL9699613 0.83 LTB4R (0.59) LTB4RLTB4R2MAPTALDH1A1PLA2G4B
Hydrochloric Acid SCHEMBL9701722 0.82 LTB4R (0.58) LTB4RLTB4R2MAPTALDH1A1PLA2G4B
SCHEMBL8994937 0.82 PLA2G4B (0.64) LTB4RMAPTALDH1A1PLA2G4BPPARD
SCHEMBL8747942 0.81 LTB4R (0.53) LTB4RLTB4R2MAPTALDH1A1PLA2G4B
SCHEMBL9699596 0.80 LTB4R (0.54) LTB4RLTB4R2MAPTALDH1A1PLA2G4B
SCHEMBL8994850 0.80 PLA2G4B (0.53) LTB4RLTB4R2MAPTALDH1A1PLA2G4B
SCHEMBL8995020 0.80 PLA2G4B (0.53) LTB4RMAPTALDH1A1PLA2G4BMAOB

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-0518819-A2 Amidino compounds, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 EP disclosed