SCHEMBL7274178

SCHEMBL7274178

CSc1cc(CCC(=O)O)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.44
KEAP1 Q14145 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
FFAR4 Q5NUL3 3/20 0.40
CYP26A1 O43174 1/20 0.40
CYP26B1 Q9NR63 1/20 0.40
PTPRB P23467 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
PTEN P60484 1/20 0.40
PTPMT1 Q8WUK0 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL27348289 0.87 FFAR1 (0.44) FFAR1KEAP1CA1CA2RXRA
SCHEMBL1002974 0.79 FFAR1 (0.53) FFAR1KEAP1CA1CA2RXRA
SCHEMBL7282363 0.78 SKP2 (0.56) FFAR1KEAP1CA1CA2FFAR4
SCHEMBL11896102 0.78 SKP2 (0.46) CA2
SCHEMBL7781855 0.76 KDM4E (0.57) FFAR1KEAP1CA1CA2FFAR4
SCHEMBL11413993 0.76 FFAR1 (0.50) FFAR1KEAP1CA1CA2RXRA
SCHEMBL4512051 0.76 GAA (0.51) FFAR1KEAP1CA1CA2PTPRB
SCHEMBL12238289 0.75 ALDH1A1 (0.50) FFAR1KEAP1CA1CA2RXRA
SCHEMBL10943765 0.75 ALDH1A1 (0.48) CA1CA2CDC25B
SCHEMBL23665797 0.75 CYP3A4 (0.55) FFAR1KEAP1CA1CA2FFAR4

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 6 patents. 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
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP disclosed