SCHEMBL8780375

SCHEMBL8780375

COC(=O)c1ccc(C(=O)[C@@H](N)Cc2ccc(Oc3ccc(-c4ccccc4)nn3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LNPEP Q9UIQ6 2/20 0.42
ACACB O00763 1/20 0.41
GAA P10253 1/20 0.41
SLC7A5 Q01650 1/20 0.40
LMNA P02545 1/20 0.40
TPH1 P17752 1/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
MIF P14174 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 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
SCHEMBL7338043 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDGLANPSR1
SCHEMBL1768600 0.70 SLC7A5 (0.68) LNPEPSLC7A5TPH1MAPTKDM4E
SCHEMBL6776885 0.70 SLC7A5 (0.68) LNPEPSLC7A5TPH1MAPTKDM4E
SCHEMBL1768596 0.70 SLC7A5 (0.68) LNPEPSLC7A5TPH1MAPTKDM4E
SCHEMBL7223676 0.70 TP53 (0.56) ALDH1A1LMNAMAPTRAB9AKDM4E
SCHEMBL14987948 0.69 MAPK1 (0.67) ALDH1A1SMN1; SMN2HPGDGLANPSR1
SCHEMBL6478714 0.68 LMNA (0.52) SMN1; SMN2MEN1KMT2AACACBLMNA
SCHEMBL26606524 0.68 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HPGDNPSR1MEN1
SCHEMBL15019652 0.67 LOXL2 (0.59) ALDH1A1SMN1; SMN2HPGDLNPEPGAA
SCHEMBL15019650 0.67 LOXL2 (0.59) ALDH1A1SMN1; SMN2HPGDLNPEPGAA

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
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed