SCHEMBL6618690

SCHEMBL6618690

CCOC(=O)C(CCCCO)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.51
EPHX2 P34913 3/20 0.51
MMP8 P22894 3/20 0.50
FOLH1 Q04609 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
MMP1 P03956 2/20 0.46
MMP3 P08254 2/20 0.46
CYP1A2 P05177 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
PPARA Q07869 1/20 0.44
BIRC2 Q13490 1/20 0.43
CPA3 P15088 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL27541485 0.88 PPARG (0.53) PPARGEPHX2MMP8FOLH1MEN1
SCHEMBL15479082 0.88 PPARG (0.58) PPARGEPHX2MMP8FOLH1MEN1
SCHEMBL9119426 0.85 FOLH1 (0.54) MMP8FOLH1KMT2AMMP1MMP3
SCHEMBL9118777 0.85 FOLH1 (0.54) MMP8FOLH1KMT2AMMP1MMP3
SCHEMBL10521821 0.84 MMP8 (0.61) PPARGEPHX2MMP8FOLH1MEN1
SCHEMBL18065695 0.83 EPHX2 (0.54) PPARGEPHX2MMP8MEN1NPC1
SCHEMBL3184765 0.83 PPARG (0.57) PPARGEPHX2MMP8FOLH1MEN1
SCHEMBL10815689 0.82 SMN1; SMN2 (0.50) PPARGEPHX2MMP8MEN1NPC1
SCHEMBL9554885 0.82 CPA3 (0.66) PPARGEPHX2MMP8FOLH1MEN1
SCHEMBL7296084 0.82 FOLH1 (0.50) FOLH1KMT2ACYP1A2TDP1PPARA

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-0683781-B1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE METABASIS THERAPEUTICS INC (US) 2004-04-21 EP disclosed
US-5731432-A Inhibitors of adenosine monophosphate deaminase GENSIA SICOR INC. (US) 1998-03-24 US disclosed
EP-0683781-A4 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE. GENSIA PHARMA (US) 1997-05-28 EP disclosed
EP-0683781-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA PHARMACEUTICALS, INC. (US) 1995-11-29 EP disclosed
WO-1994018200-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA, INC. (US) 1994-08-18 WO disclosed