SCHEMBL11684066

SCHEMBL11684066

CC(=O)Oc1ccc(C[C@H](NC(=O)O)C(=O)O)cc1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.47
LDHA P00338 1/20 0.46
FPR2 P25090 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
CFD P00746 1/20 0.44
PTGS1 P23219 1/20 0.44
CCR5 P51681 2/20 0.43
INSR P06213 1/20 0.43
IGF1R P08069 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CA2 P00918 2/20 0.41

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
SCHEMBL25471843 0.92 ITGB3 (0.49) ALOX15LDHAFPR2ALDH1A1KDM4E
SCHEMBL1070435 0.88 ITGB3 (0.46) ALOX15LDHAFPR2ALDH1A1KDM4E
SCHEMBL25188179 0.88 ITGB3 (0.46) ALOX15LDHAFPR2ALDH1A1KDM4E
SCHEMBL1071712 0.87 HDAC3 (0.44) ALOX15LDHAFPR2ALDH1A1KDM4E
SCHEMBL22290251 0.87 HDAC3 (0.44) ALOX15LDHAFPR2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11454643 0.87 ITGB3 (0.46) ALOX15LDHAFPR2ALDH1A1KDM4E
SCHEMBL11862343 0.86 CCR5 (0.55) FPR2CCR5CA2
SCHEMBL11794176 0.86 PPARG (0.57) ALOX15LDHAFPR2ALDH1A1KDM4E
SCHEMBL11860866 0.86 PPARG (0.57) ALOX15LDHAFPR2ALDH1A1KDM4E
SCHEMBL8232221 0.86 MME (0.49) ALOX15LDHAFPR2ALDH1A1KDM4E

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-4065566-A PRO-DRUG FORM OF L-DOPA, PARKINSON*S DISEASE INTERX RESEARCH CORPORATION (US) 1977-12-27 US disclosed
US-4035507-A Novel, transient pro-drug forms of L-DOPA to treat Parkinson's disease INTERX RESEARCH CORPORATION (US) 1977-07-12 US disclosed
US-3998799-A FOR TREATMENT OF PARKINSON'S DISEASE INTERX RESEARCH CORPORATION (US) 1976-12-21 US disclosed
US-3939253-A Novel, transient pro-drug forms of l-dopa useful in the treatment of parkinson's disease INTERX RESEARCH CORPORATION (US) 1976-02-17 US disclosed