SCHEMBL9849871

SCHEMBL9849871

COC(=O)c1cc(CCCCCCO)cs1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 5/20 0.53
CYP4F2 P78329 4/20 0.53
DAO P14920 1/20 0.43
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.37
LTB4R Q15722 4/20 0.36
CES1 P23141 3/20 0.36
CTPS1 P17812 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 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
SCHEMBL1604772 0.98 CYP4A11 (0.54) CYP4A11CYP4F2DAOMAPTNPSR1
SCHEMBL9849635 0.94 CYP4A11 (0.53) CYP4A11CYP4F2DAOMAPTNPSR1
SCHEMBL9850003 0.87 CYP4A11 (0.49) CYP4A11CYP4F2DAOMAPTNPSR1
SCHEMBL28342951 0.83 DAO (0.44) CYP4A11CYP4F2DAOMAPTNPSR1
SCHEMBL12468480 0.82 DAO (0.46) CYP4A11DAOMAPTNPSR1LTB4R
SCHEMBL9849709 0.81 LMNA (0.39) CYP4A11CYP4F2DAOMAPTNPSR1
SCHEMBL8226496 0.81 DAO (0.47) CYP4A11CYP4F2DAOMAPTNPSR1
SCHEMBL1401548 0.80 NPSR1 (0.47) CYP4A11CYP4F2DAOMAPTNPSR1
SCHEMBL6618423 0.80 DAO (0.46) CYP4A11CYP4F2DAOMAPTNPSR1
SCHEMBL9849602 0.79 KDM4E (0.40) CYP4A11CYP4F2DAOMAPTNPSR1

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