SCHEMBL9699596

SCHEMBL9699596

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.54
LTB4R2 Q9NPC1 1/20 0.51
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
PLA2G4B P0C869 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
MAOB P27338 1/20 0.40
GCGR P47871 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
SCHEMBL9116638 0.91 LTB4R (0.65) LTB4RLTB4R2LMNAKDM4EPOLB
SCHEMBL9699613 0.88 LTB4R (0.59) LTB4RLTB4R2LMNAKDM4EPOLB
Hydrochloric Acid SCHEMBL9701722 0.87 LTB4R (0.58) LTB4RLTB4R2LMNAKDM4EPOLB
SCHEMBL9119933 0.82 LTB4R (0.61) LTB4RLTB4R2LMNAKDM4EPOLB
SCHEMBL9120857 0.81 LTB4R (0.61) LTB4RLTB4R2LMNAKDM4EPOLB
SCHEMBL9118843 0.81 LTB4R (0.61) LTB4RLTB4R2LMNAKDM4EPOLB
SCHEMBL9120027 0.81 LTB4R (0.60) LTB4RLTB4R2LMNAKDM4EPOLB
SCHEMBL9702002 0.80 LTB4R (0.61) LTB4RLTB4R2MAPTALDH1A1PLA2G4B
SCHEMBL8994983 0.80 LTB4R (0.59) LTB4RLTB4R2LMNAKDM4EPOLB
SCHEMBL7711975 0.78 LTB4R (0.72) LTB4RLTB4R2LMNAKDM4EPOLB

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