SCHEMBL8994937

SCHEMBL8994937

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.64
MAPT P10636 2/20 0.60
TSHR P16473 2/20 0.57
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
TPMT P51580 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
POLB P06746 1/20 0.53
CASP6 P55212 1/20 0.53
LTB4R Q15722 1/20 0.53
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
TP53 P04637 1/20 0.51

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
SCHEMBL8994850 0.90 PLA2G4B (0.53) PLA2G4BMAPTTSHRALDH1A1HPGD
SCHEMBL8995020 0.90 PLA2G4B (0.53) PLA2G4BMAPTALDH1A1LTB4RPPARD
SCHEMBL6680243 0.89 MMP2 (0.57) PLA2G4BMAPTTSHRALDH1A1HPGD
SCHEMBL6675503 0.89 MMP2 (0.57) PLA2G4BMAPTTSHRALDH1A1HPGD
SCHEMBL8747939 0.85 LTB4R (0.74) PLA2G4BMAPTALDH1A1LTB4RPPARD
SCHEMBL8748091 0.85 LTB4R (0.74) PLA2G4BMAPTALDH1A1LTB4RPPARD
SCHEMBL21614005 0.85 TSHR (0.76) PLA2G4BMAPTTSHRCA12CA1
SCHEMBL8747942 0.84 LTB4R (0.53) PLA2G4BMAPTALDH1A1HPGDLTB4R
SCHEMBL8748088 0.84 LTB4R (0.72) PLA2G4BMAPTALDH1A1LTB4RPPARD
SCHEMBL8122418 0.84 TSHR (0.78) PLA2G4BMAPTTSHRCA12CA1

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