SCHEMBL9200534

SCHEMBL9200534

CCCC(=O)C(Cc1ccc(-c2ccccc2)c(C(=O)OC)c1)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.42
CYP2C9 P11712 2/20 0.40
FOLH1 Q04609 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARA Q07869 4/20 0.39
PPARG P37231 3/20 0.39
PPARD Q03181 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
BDKRB1 P46663 1/20 0.39
TACR3 P29371 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38

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
SCHEMBL9205175 0.94 LTB4R2 (0.48) LTB4R2CYP2C9FOLH1KDM4ECYP1A2
SCHEMBL8670621 0.86 LTB4R2 (0.51) LTB4R2PPARAPPARGPPARDBDKRB1
SCHEMBL9204918 0.85 LTB4R2 (0.40) LTB4R2CYP2C9PPARAPPARGPPARD
SCHEMBL9280307 0.83 LTB4R2 (0.46) LTB4R2CYP2C9FOLH1KDM4ECYP1A2
SCHEMBL8671881 0.80 LTB4R2 (0.57) LTB4R2BDKRB1
SCHEMBL9195365 0.76 LTB4R2 (0.39) LTB4R2KDM4ECYP1A2CYP2C19PPARA
SCHEMBL9024939 0.76 LTB4R2 (0.58) LTB4R2
SCHEMBL534889 0.74 KDM4E (0.50) LTB4R2CYP2C9FOLH1KDM4ECYP1A2
SCHEMBL10512148 0.74 LOXL2 (0.51) CYP2C9FOLH1KDM4ECYP1A2CYP2D6
SCHEMBL9448762 0.74 MMP8 (0.41) KDM4EALDH1A1

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-0680480-A1 PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY. LUSO FARMACO INST (IT) 1995-11-08 EP disclosed
EP-0641329-A1 COMPOUNDS HAVING ANGIOTENSINE II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.p.A. (IT) 1995-03-08 EP disclosed