SCHEMBL8994850

SCHEMBL8994850

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.53
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LTB4R Q15722 2/20 0.51
PRSS1 P07477 2/20 0.49
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
MAOB P27338 2/20 0.47
LTB4R2 Q9NPC1 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL8994937 0.90 PLA2G4B (0.64) PLA2G4BMAPTALDH1A1LTB4RPRSS1
SCHEMBL8995020 0.88 PLA2G4B (0.53) PLA2G4BMAPTALDH1A1LTB4RPRSS1
SCHEMBL8748091 0.83 LTB4R (0.74) PLA2G4BMAPTALDH1A1LTB4RPRSS1
SCHEMBL8747939 0.83 LTB4R (0.74) PLA2G4BMAPTALDH1A1LTB4RPRSS1
SCHEMBL18707316 0.83 MRGPRX4 (0.58) MAPTALDH1A1KMT2AHPGDHDAC1
SCHEMBL8747942 0.82 LTB4R (0.53) PLA2G4BMAPTALDH1A1LTB4RMAOB
SCHEMBL8748088 0.82 LTB4R (0.72) PLA2G4BMAPTALDH1A1LTB4RPRSS1
SCHEMBL9306797 0.81 THRA (0.65) PLA2G4BPRSS1THRATHRBTSHR
SCHEMBL9578512 0.81 THRA (0.65) PLA2G4BPRSS1THRATHRBTSHR
SCHEMBL11239964 0.81 THRA (0.57) PLA2G4BMAPTPRSS1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed
EP-0518819-B1 Amidino compounds, their manufacture and use as medicament CIBA GEIGY AG (CH) 1995-08-02 EP disclosed
EP-0518819-A2 Amidino compounds, their manufacture and use as medicament CIBA-GEIGY AG (CH) 1992-12-16 EP disclosed