SCHEMBL7380405

SCHEMBL7380405

N=C(N)c1cccc(C(=O)NCCc2ccc(CCC(=O)O)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.58
F2 P00734 2/20 0.58
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
PPARG P37231 1/20 0.56
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ITGB3 P05106 5/20 0.53
ITGA2B P08514 5/20 0.53
ST14 Q9Y5Y6 1/20 0.51
PRSS1 P07477 1/20 0.51

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
SCHEMBL7373439 0.90 PPARG (0.70) F10F2HDAC2HDAC8HDAC6
SCHEMBL7297516 0.87 ST14 (0.64) F2HDAC2HDAC8HDAC6NPC1
SCHEMBL7379804 0.85 ITGB3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7371861 0.85 ITGB3 (0.69) F10F2PPARGITGB3ITGA2B
SCHEMBL7458359 0.84 PPARG (0.65) F10F2HDAC2HDAC8HDAC6
SCHEMBL11470600 0.82 ESRRG (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7379916 0.80 PPARG (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8500653 0.80 ITGB3 (0.60) F10HDAC3HDAC4HDAC1HDAC7
SCHEMBL7118443 0.79 ITGB3 (0.64) F10F2PPARGITGB3ITGA2B
SCHEMBL9335779 0.79 ITGB3 (0.58) F10F2ITGB3ITGA2BPRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP claimed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed