SCHEMBL8959460

SCHEMBL8959460

O=C(O)CCN1CC(=O)N(C(c2ccccc2)c2ccccc2)c2ccc(I)cc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALOX15 P16050 2/20 0.47
TSHR P16473 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
MDM2 Q00987 9/20 0.40
TP53 P04637 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL7331430 0.87 PTPN1 (0.35) KDM4EALOX15TSHRSIRT1ITGB3
SCHEMBL9318010 0.81 KDM4E (0.50) KDM4EALOX15TSHRSIRT1ITGB3
SCHEMBL8959490 0.81 KDM4E (0.41) KDM4EALOX15TSHRSIRT1ITGB3
SCHEMBL7357560 0.81 KDM4E (0.41) KDM4EALOX15TSHRSIRT1ITGB3
SCHEMBL9281590 0.80 KDM4E (0.40) KDM4EALOX15TSHRSIRT1ITGB3
SCHEMBL7324461 0.79 TNF (0.37) KDM4EALOX15TSHRSIRT1ALDH1A1
SCHEMBL7365574 0.79 ITGB3 (0.46) KDM4EALOX15TSHRSIRT1ITGB3
SCHEMBL7359240 0.79 ITGB3 (0.56) KDM4EALOX15TSHRSIRT1ITGB3
SCHEMBL7356371 0.79 ITGB3 (0.49) KDM4EALOX15TSHRSIRT1ITGB3
SCHEMBL8836989 0.79 ITGB3 (0.73) KDM4EALOX15TSHRSIRT1ITGB3

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-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed