SCHEMBL8330762

SCHEMBL8330762

CN1Cc2cc(CCCCO)ccc2NC(CC(=O)O)(C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.37
PPARA Q07869 1/20 0.32
DHODH Q02127 1/20 0.32
NR1H2 P55055 1/20 0.31

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
SCHEMBL8468002 0.67 DHODH (0.37) DHODHNR1H2
SCHEMBL5639524 0.60 DHODH (0.58) BRD4DHODHNR1H2
SCHEMBL6993576 0.60 CYP4A11 (0.35) PPARANR1H2
SCHEMBL10838297 0.60 HTR1A (0.53)
SCHEMBL5639439 0.59 MPO (0.53) BRD4DHODHNR1H2
SCHEMBL13792687 0.59 PPARA (0.65) PPARANR1H2
SCHEMBL5746834 0.58 NR1H2 (0.50) NR1H2
SCHEMBL1560634 0.58 CYP4A11 (0.69) PPARANR1H2
SCHEMBL17081008 0.57 BRD4 (0.57) BRD4
SCHEMBL15492617 0.57 TDP1 (0.54) PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed