SCHEMBL9849602

SCHEMBL9849602

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
DAO P14920 1/20 0.38
CTPS1 P17812 1/20 0.38
NPSR1 Q6W5P4 3/20 0.36
MAPT P10636 2/20 0.36
CYP4A11 Q02928 3/20 0.35
CYP4F2 P78329 2/20 0.35
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 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
SCHEMBL9849709 0.99 LMNA (0.39) KDM4ELMNATSHRUSP2ALDH1A1
SCHEMBL9849893 0.96 DAO (0.39) KDM4ELMNATSHRUSP2ALDH1A1
SCHEMBL9849875 0.91 DAO (0.41) KDM4ELMNATSHRUSP2ALDH1A1
SCHEMBL1604772 0.80 CYP4A11 (0.54) KDM4EALDH1A1DAOCTPS1NPSR1
SCHEMBL9849871 0.79 CYP4A11 (0.53) ALDH1A1DAOCTPS1NPSR1MAPT
SCHEMBL9849635 0.79 CYP4A11 (0.53) KDM4ETSHRALDH1A1DAOCTPS1
SCHEMBL28342951 0.77 DAO (0.44) KDM4ELMNATSHRALDH1A1ALOX15
SCHEMBL9849816 0.76 LMNA (0.40) KDM4ELMNATSHRUSP2ALDH1A1
SCHEMBL12468480 0.76 DAO (0.46) TSHRDAONPSR1MAPTCYP4A11
SCHEMBL9849790 0.76 CTPS1 (0.36) KDM4ELMNATSHRUSP2ALDH1A1

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