SCHEMBL7480705

SCHEMBL7480705

N#Cc1ccc(OCc2ccccc2)c(OCC(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.64
MRGPRX4 Q96LA9 4/20 0.53
PTGER1 P34995 1/20 0.52
MAOB P27338 1/20 0.51
ELANE P08246 3/20 0.50
LTB4R Q15722 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.50
F2 P00734 1/20 0.50
PTPN1 P18031 1/20 0.48
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
PPIA P62937 1/20 0.47

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
SCHEMBL7477463 0.87 MRGPRX4 (0.52) PTGDR2MRGPRX4PTGER1MAOBPPIA
SCHEMBL31562849 0.83 PTGDR2 (0.50) PTGDR2MRGPRX4MAOBELANELTB4R
Acetoacetic Acid SCHEMBL27720127 0.82 KDM4E (0.51) PTGDR2MRGPRX4PTGER1MAOBF2
SCHEMBL18528829 0.82 PTGDR2 (0.60) PTGDR2
SCHEMBL5089130 0.81 MRGPRX4 (0.53) PTGDR2MRGPRX4PTGER1MAOBELANE
SCHEMBL1647357 0.81 FOLH1 (0.62) PTGDR2MRGPRX4PTGER1MAOBPPIA
SCHEMBL8113906 0.81 MRGPRX4 (0.50) PTGDR2MRGPRX4PTGER1MAOBPTPN1
SCHEMBL6766128 0.80 MAOB (0.57) MRGPRX4MAOB
SCHEMBL7909009 0.80 PPARD (0.59) MAOBELANELTB4RLTB4R2F2
SCHEMBL10419985 0.80 PTGDR2 (0.62) PTGDR2

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-1183235-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-03-06 EP disclosed
WO-2000071510-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 WO disclosed