SCHEMBL11206952

SCHEMBL11206952

O=C(O)c1cocc1C(=O)O.O=C1OC(=O)c2c1ccc1ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.53
TYMS P04818 1/20 0.47
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GLA P06280 2/20 0.46
GAA P10253 1/20 0.46
SOS1 Q07889 2/20 0.45
LDHA P00338 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
LMNA P02545 1/20 0.43
DNMT1 P26358 1/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CDC25B P30305 1/20 0.40
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL137604 0.83 DNMT1 (0.55) WDR5TYMSHPGDKDM4EALDH1A1
SCHEMBL29423627 0.83 DNMT1 (0.55) WDR5TYMSHPGDKDM4EALDH1A1
SCHEMBL29262283 0.81 DNMT1 (0.53) WDR5TYMSHPGDKDM4EALDH1A1
SCHEMBL8603656 0.81 SOS1 (0.52) WDR5TYMSHPGDKDM4EALDH1A1
SCHEMBL7883029 0.76 TYMS (0.47) WDR5TYMSHPGDKDM4EALDH1A1
Maleic Anhydride SCHEMBL29199820 0.75 DNMT1 (0.47) WDR5TYMSHPGDKDM4EALDH1A1
SCHEMBL15119562 0.75 ALDH1A1 (0.59) TYMSHPGDKDM4EALDH1A1SOS1
SCHEMBL475904 0.74 TYMS (0.61) TYMSKDM4EALDH1A1SOS1NR4A1
SCHEMBL9061416 0.73 HSD17B10 (0.56) WDR5TYMSHPGDKDM4EALDH1A1
SCHEMBL17256684 0.73 TTR (0.45) TYMSKDM4EALDH1A1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0083484-A1 1,1-Alkanediol dicarboxylate linked antibacterial agents PFIZER INC. (US) 1983-07-13 EP disclosed