SCHEMBL1827574

SCHEMBL1827574

CCC(C(=O)O)c1ncco1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.36
CES1 P23141 1/20 0.36
CTSA P10619 14/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34

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
SCHEMBL28475689 0.86 FAAH (0.38) FAAHCES1CTSA
SCHEMBL6607172 0.83 FAAH (0.42) FAAHCES1CTSA
SCHEMBL4340142 0.79 HKDC1 (0.38) CTSA
SCHEMBL4329821 0.77 FFAR2 (0.41) CTSAAKR1C3AKR1C2
SCHEMBL4331353 0.77 CTSA (0.41) CTSA
SCHEMBL4328044 0.77 MEN1 (0.32) FAAHCES1CTSA
SCHEMBL1650359 0.76 CTSA (0.36) CTSA
SCHEMBL4327338 0.75 FFAR1 (0.48) FAAHCTSAAKR1C3AKR1C2
SCHEMBL4327553 0.75 CTSA (0.41) CTSA
SCHEMBL9452969 0.74 CYP1A2 (0.40) CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4685307-B2 2011-05-18 JP claimed
JP-2003508516-A 2003-03-04 JP claimed
EP-1218005-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-09 EP claimed
EP-1218005-A2 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-07-03 EP claimed
WO-2001017959-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-15 WO claimed
CN-113226368-A Neurological disease treatment with zilucoprol RA制药公司 2021-08-06 CN disclosed
EP-1102587-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-03-12 EP disclosed
EP-1218005-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-09 EP disclosed
EP-1218005-A2 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-07-03 EP disclosed
EP-1102587-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-30 EP disclosed
WO-2001017959-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-15 WO disclosed
WO-2000007544-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-17 WO disclosed