SCHEMBL9536302

SCHEMBL9536302

CN(CCOc1ccc(C=O)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 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
SCHEMBL24627541 0.83 EGFR (0.49) ITGB3ITGA2BLTB4RLTB4R2MAPT
SCHEMBL9123363 0.82 LTB4R (0.61) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9121679 0.82 DRD2 (0.53) LTA4HCYP2D6MAPTALDH1A1LMNA
SCHEMBL9536304 0.81 HPGD (0.64) HPGD
SCHEMBL9536301 0.81 HPGD (0.64) HPGD
SCHEMBL2044105 0.81 CHRNB2 (0.51) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL9120626 0.81 LTB4R (0.53) LTA4HLTB4RLTB4R2
SCHEMBL9536311 0.80 HPGD (0.49) HPGD
SCHEMBL7636522 0.80 ALDH1A1 (0.50) LTA4HCYP2D6MAPTALDH1A1LMNA
SCHEMBL9533567 0.79 MEN1 (0.46) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19

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-0555251-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP plc (GB) 1993-08-18 EP disclosed
WO-1992007838-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-05-14 WO disclosed