SCHEMBL9849893

SCHEMBL9849893

COC(=O)c1cc(CCCOS(C)(=O)=O)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
CTPS1 P17812 1/20 0.38
KDM4E B2RXH2 5/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
MAPT P10636 2/20 0.36
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
CYP4A11 Q02928 3/20 0.33
CYP4F2 P78329 2/20 0.33
HPGD P15428 3/20 0.31
MAPK1 P28482 2/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL9849602 0.96 KDM4E (0.40) DAOCTPS1KDM4ELMNATSHR
SCHEMBL9849709 0.95 LMNA (0.39) DAOCTPS1KDM4ELMNATSHR
SCHEMBL9849875 0.92 DAO (0.41) DAOCTPS1KDM4ELMNATSHR
SCHEMBL9849635 0.80 CYP4A11 (0.53) DAOCTPS1KDM4ETSHRALDH1A1
SCHEMBL1604772 0.79 CYP4A11 (0.54) DAOCTPS1KDM4EALDH1A1NPSR1
SCHEMBL28342951 0.79 DAO (0.44) DAOCTPS1KDM4ELMNATSHR
SCHEMBL12468480 0.77 DAO (0.46) DAOTSHRNPSR1MAPTCYP4A11
SCHEMBL9849871 0.77 CYP4A11 (0.53) DAOCTPS1ALDH1A1NPSR1MAPT
SCHEMBL9849790 0.77 CTPS1 (0.36) DAOCTPS1KDM4ELMNATSHR
SCHEMBL7835866 0.77 MAPT (0.46) DAOCTPS1KDM4ELMNATSHR

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-0415510-A2 L-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-03-06 EP disclosed
US-4920125-A L-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1990-04-24 US disclosed