SCHEMBL8959490

SCHEMBL8959490

NCCCCCc1ccc2c(c1)C(=O)N(CCC(=O)O)CC(=O)N2C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
S1PR1 P21453 1/20 0.35
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SSTR4 P31391 2/20 0.32
SSTR5 P35346 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
SSTR2 P30874 1/20 0.32
CYP1A2 P05177 1/20 0.32
HDAC3 O15379 1/20 0.32

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
SCHEMBL7357560 1.00 KDM4E (0.41) KDM4EALOX15TSHRSIRT1ITGB3
Trifluoroacetic Acid SCHEMBL7323735 0.95 KDM4E (0.37) KDM4EALOX15TSHRSIRT1ITGB3
Trifluoroacetic Acid SCHEMBL7327519 0.95 KDM4E (0.37) KDM4EALOX15TSHRSIRT1ITGB3
Trifluoroacetic Acid SCHEMBL7330241 0.94 KDM4E (0.38) KDM4EALOX15TSHRSIRT1ITGB3
SCHEMBL7354810 0.87 ITGB3 (0.41) KDM4EALOX15TSHRSIRT1ITGB3
SCHEMBL7323744 0.87 ITGB3 (0.30) ITGB3ITGA2B
SCHEMBL7327527 0.87 ITGB3 (0.30) ITGB3ITGA2B
SCHEMBL7330251 0.86 ITGB3 (0.31) KDM4EALOX15TSHRSIRT1ITGB3
SCHEMBL7363304 0.86 LTB4R (0.32) SSTR4SSTR5HDAC4HDAC1SSTR2
SCHEMBL7365574 0.86 ITGB3 (0.46) 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