SCHEMBL9118043

SCHEMBL9118043

CC(C)N(C(=O)c1cccc(OCCCCCOc2ccc(C=NN)cc2)c1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.49
LTB4R2 Q9NPC1 1/20 0.47
PLA2G4B P0C869 2/20 0.44
PRSS1 P07477 5/20 0.41
SMPD1 P17405 3/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
KAT6A Q92794 1/20 0.41

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
SCHEMBL9117727 0.89 LTB4R (0.52) LTB4RLTB4R2PLA2G4B
Hydrochloric Acid SCHEMBL8994941 0.88 LTB4R (0.51) LTB4RLTB4R2PLA2G4BPRSS1
Hydrochloric Acid SCHEMBL8994889 0.85 LMNA (0.47) PLA2G4BPRSS1SMPD1THRATHRB
Hydrochloric Acid SCHEMBL8994904 0.85 LTB4R (0.43) LTB4RLTB4R2PLA2G4BPRSS1SMPD1
SCHEMBL7711975 0.84 LTB4R (0.72) LTB4RLTB4R2PLA2G4BPRSS1THRA
SCHEMBL9119999 0.83 LTB4R (0.46) LTB4RLTB4R2KMT2A
SCHEMBL7711188 0.83 MAOB (0.48) LTB4RLTB4R2
Hydrochloric Acid SCHEMBL8995021 0.83 LTB4R (0.68) LTB4RLTB4R2PLA2G4BPRSS1SMPD1
Hydrochloric Acid SCHEMBL8994877 0.83 LTB4R (0.55) LTB4RLTB4R2THRATHRBKMT2A
Hydrochloric Acid SCHEMBL8994965 0.83 LTB4R (0.55) LTB4RLTB4R2THRATHRB

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-0518819-B1 Amidino compounds, their manufacture and use as medicament CIBA GEIGY AG (CH) 1995-08-02 EP claimed
EP-0518819-A2 Amidino compounds, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 EP claimed