SCHEMBL9850003

SCHEMBL9850003

COC(=O)c1cc(CCO)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 8/20 0.49
CYP4F2 P78329 7/20 0.49
DAO P14920 2/20 0.47
NPSR1 Q6W5P4 4/20 0.44
MAPT P10636 2/20 0.44
CTPS1 P17812 1/20 0.39
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 2/20 0.35
OPRD1 P41143 1/20 0.35
MAPK1 P28482 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34

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
SCHEMBL9849635 0.90 CYP4A11 (0.53) CYP4A11CYP4F2DAONPSR1MAPT
SCHEMBL1604772 0.89 CYP4A11 (0.54) CYP4A11CYP4F2DAONPSR1MAPT
SCHEMBL9849871 0.87 CYP4A11 (0.53) CYP4A11CYP4F2DAONPSR1MAPT
SCHEMBL8226496 0.86 DAO (0.47) CYP4A11CYP4F2DAONPSR1MAPT
SCHEMBL1401548 0.86 NPSR1 (0.47) CYP4A11CYP4F2DAONPSR1MAPT
SCHEMBL6618423 0.85 DAO (0.46) CYP4A11CYP4F2DAONPSR1MAPT
SCHEMBL8180294 0.84 NPSR1 (0.48) DAONPSR1MAPTCTPS1HPGD
SCHEMBL7835866 0.83 MAPT (0.46) CYP4A11CYP4F2DAONPSR1MAPT
SCHEMBL28342951 0.82 DAO (0.44) CYP4A11CYP4F2DAONPSR1MAPT
SCHEMBL30020077 0.82 DAO (0.68) CYP4A11CYP4F2DAONPSR1MAPT

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