SCHEMBL6977022

SCHEMBL6977022

CCC(=O)c1nc(C(C)(C)C)c(O)c(C(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.37
PTGS2 P35354 2/20 0.37
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.31
DRD3 P35462 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL6976960 0.77 GLRA3 (0.38) PTGS1PTGS2
SCHEMBL9120689 0.67 PTGS1 (0.35) PTGS1PTGS2
SCHEMBL21366422 0.67 SMN1; SMN2 (0.41) MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL11142404 0.66 MEN1 (0.40) PTGS1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL28806428 0.66 HTT (0.47) PTGS1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL21366306 0.65 DPP4 (0.39) MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL632901 0.65 KDM4E (0.39) ALDH1A1
SCHEMBL12883191 0.60 CYP1A2 (0.47) ALDH1A1KMT2ACYP1A2SMN1; SMN2
SCHEMBL15148333 0.60 APLNR (0.41) PTGS1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22092246 0.58 AGBL2 (0.38) PTGS1MEN1KMT2ASMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0652874-B1 2-HETEROCYCLIC-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER LAMBERT CO (US) 2003-11-05 EP disclosed
EP-0652874-A1 2-HETEROCYCLIC-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1995-05-17 EP disclosed
US-5312821-A Antiulcer agents WARNER-LAMBERT COMPANY (US) 1994-05-17 US disclosed
WO-1994003448-A1 2-HETEROCYCLIC-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1994-02-17 WO disclosed
US-5240929-A Lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1993-08-31 US disclosed