SCHEMBL7321089

SCHEMBL7321089

CN(C(=O)C(CC(=O)c1ccco1)Cc1ccccc1)[C@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.40
MAPT P10636 4/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MIF P14174 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CPA1 P15085 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CPB1 P15086 1/20 0.33
CPA3 P15088 1/20 0.33
CPB2 Q96IY4 1/20 0.33
CYP1A2 P05177 1/20 0.33
FFAR2 O15552 2/20 0.33
MMP2 P08253 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
SCHEMBL9554635 0.83 LTA4H (0.42) LTA4HCPA1CPB1CPA3CPB2
SCHEMBL7309902 0.80 LTA4H (0.48) LTA4HMIFCPA1HPGDCPB1
SCHEMBL7310400 0.80 MME (0.46) LTA4HALDH1A1TSHR
SCHEMBL7312789 0.80 MME (0.46) LTA4HALDH1A1TSHR
SCHEMBL7312761 0.80 MME (0.46) LTA4HALDH1A1TSHR
SCHEMBL7310410 0.80 MME (0.46) LTA4HALDH1A1TSHR
SCHEMBL7321074 0.77 BIRC2 (0.47) ALDH1A1HSD17B10TSHR
SCHEMBL9554926 0.75 LTA4H (0.37) LTA4HMAPTPOLBALDH1A1MEN1
SCHEMBL8524822 0.73 NLN (0.39) TDP1CPA1MMP2MMP9
SCHEMBL8524821 0.73 NLN (0.39) TDP1CPA1MMP2MMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed