SCHEMBL9849709

SCHEMBL9849709

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
DAO P14920 1/20 0.38
CTPS1 P17812 1/20 0.37
NPSR1 Q6W5P4 4/20 0.35
MAPT P10636 2/20 0.35
CYP4A11 Q02928 3/20 0.34
CYP4F2 P78329 2/20 0.34
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CES1 P23141 2/20 0.32
LTB4R Q15722 4/20 0.32
MAPK1 P28482 2/20 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 0.99 KDM4E (0.40) LMNAALDH1A1TSHRKDM4EUSP2
SCHEMBL9849893 0.95 DAO (0.39) LMNAALDH1A1TSHRKDM4EUSP2
SCHEMBL9849875 0.89 DAO (0.41) LMNAALDH1A1TSHRKDM4EUSP2
SCHEMBL9849871 0.81 CYP4A11 (0.53) ALDH1A1DAOCTPS1NPSR1MAPT
SCHEMBL1604772 0.79 CYP4A11 (0.54) ALDH1A1KDM4EDAOCTPS1NPSR1
SCHEMBL9849635 0.78 CYP4A11 (0.53) ALDH1A1TSHRKDM4EDAOCTPS1
SCHEMBL28342951 0.76 DAO (0.44) LMNAALDH1A1TSHRKDM4EALOX15
SCHEMBL1794739 0.76 CYP4A11 (0.61) LMNAALDH1A1TSHRKDM4EUSP2
SCHEMBL9849816 0.75 LMNA (0.40) LMNAALDH1A1TSHRKDM4EUSP2
SCHEMBL12468480 0.75 DAO (0.46) TSHRDAONPSR1MAPTCYP4A11

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