SCHEMBL8575501

SCHEMBL8575501

NCc1ccc(N2CC(CCC(=O)O)N(c3ccccc3)C2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
TP53 P04637 1/20 0.35
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
POLB P06746 1/20 0.34
FFAR4 Q5NUL3 6/20 0.34
CTSG P08311 2/20 0.34
CMA1 P23946 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA2B P08514 1/20 0.34
ITGA5 P08648 1/20 0.34
S1PR1 P21453 1/20 0.33
HPGD P15428 1/20 0.33
HDAC1 Q13547 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
SCHEMBL8575092 0.89 CTSG (0.43) TP53POLBCTSGCMA1
SCHEMBL8575472 0.88 PTGER3 (0.38) PTGER3PTGER2PPARDPPARAFFAR4
Hydrochloric Acid SCHEMBL8575626 0.88 CTSG (0.42) TP53POLBCTSGCMA1
SCHEMBL8575529 0.84 PTGER4 (0.37) PTGER3PTGER2TP53PPARDPPARA
SCHEMBL8572789 0.83 PTGER4 (0.40) TP53POLBCTSGCMA1ITGB3
SCHEMBL8573785 0.82 FFAR4 (0.39) PTGER3PTGER2TP53FFAR4
SCHEMBL8572958 0.81 GRIN1 (0.40) POLBHPGD
SCHEMBL8875629 0.79 MEN1 (0.43) CTSGCMA1
SCHEMBL8416012 0.79 PTGER3 (0.35) PTGER3PTGER2PPARDFFAR4
SCHEMBL8573857 0.78 PTPN1 (0.35) PPARDPPARAPOLBITGB3ITGA2B

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-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed