SCHEMBL741541

SCHEMBL741541

COC(=O)C(O)C(N)Cc1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.61
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
LAP3 P28838 3/20 0.47
ANPEP P15144 4/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
EPHX1 P07099 1/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ACACB O00763 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL762691 1.00 LTA4H (0.61) LTA4HHDAC1HDAC6LAP3ANPEP
SCHEMBL741542 1.00 LTA4H (0.61) LTA4HHDAC1HDAC6LAP3ANPEP
SCHEMBL7960649 0.86 LTA4H (0.67) LTA4HLAP3ESR1ESR2KMT2A
SCHEMBL7415465 0.86 LTA4H (0.67) LTA4HLAP3ESR1ESR2KMT2A
SCHEMBL7961571 0.84 LTA4H (0.69) LTA4HLAP3ACACBPOLB
SCHEMBL6339522 0.84 LTA4H (0.77) LTA4HLAP3ANPEPRNPEPDNPEP
SCHEMBL2106650 0.84 LTA4H (0.77) LTA4HLAP3ANPEPRNPEPDNPEP
SCHEMBL7964846 0.84 LTA4H (0.77) LTA4HLAP3ANPEPRNPEPDNPEP
SCHEMBL2606756 0.84 LTA4H (0.77) LTA4HLAP3ANPEPRNPEPDNPEP
SCHEMBL28578878 0.84 LTA4H (0.77) LTA4HLAP3ANPEPRNPEPDNPEP

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
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed