SCHEMBL9849635

SCHEMBL9849635

COC(=O)c1cc(CCCO)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 6/20 0.53
CYP4F2 P78329 5/20 0.47
DAO P14920 2/20 0.45
NPSR1 Q6W5P4 3/20 0.42
MAPT P10636 2/20 0.42
TNKS2 Q9H2K2 1/20 0.38
CTPS1 P17812 1/20 0.37
HPGD P15428 3/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1604772 0.95 CYP4A11 (0.54) CYP4A11CYP4F2DAONPSR1MAPT
SCHEMBL9849871 0.94 CYP4A11 (0.53) CYP4A11CYP4F2DAONPSR1MAPT
SCHEMBL9850003 0.90 CYP4A11 (0.49) CYP4A11CYP4F2DAONPSR1MAPT
SCHEMBL28342951 0.86 DAO (0.44) CYP4A11CYP4F2DAONPSR1MAPT
SCHEMBL12468480 0.84 DAO (0.46) CYP4A11DAONPSR1MAPTMAPK1
SCHEMBL8226496 0.83 DAO (0.47) CYP4A11CYP4F2DAONPSR1MAPT
SCHEMBL18152974 0.83 MAPT (0.39) CYP4A11CYP4F2DAONPSR1MAPT
SCHEMBL1401548 0.83 NPSR1 (0.47) CYP4A11CYP4F2DAONPSR1MAPT
SCHEMBL6618423 0.82 DAO (0.46) CYP4A11CYP4F2DAONPSR1MAPT
SCHEMBL8180294 0.81 NPSR1 (0.48) DAONPSR1MAPTCTPS1HPGD

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