SCHEMBL3627972

SCHEMBL3627972

C=CCCCCOC(C)(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ABCC4 O15439 1/20 0.42
ALDH1A1 P00352 5/20 0.42
LPAR3 Q9UBY5 2/20 0.42
LMNA P02545 2/20 0.42
LPAR2 Q9HBW0 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.37
CYP4F2 P78329 5/20 0.36
CYP4A11 Q02928 5/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
ACLY P53396 1/20 0.35
TSHR P16473 2/20 0.34
USP2 O75604 2/20 0.34
CYP3A4 P08684 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL5855843 0.81 ALDH1A1 (0.50) MAPTABCC4ALDH1A1LPAR3LMNA
SCHEMBL5855805 0.81 ALDH1A1 (0.50) MAPTABCC4ALDH1A1LPAR3LMNA
SCHEMBL5858394 0.81 ALDH1A1 (0.50) MAPTABCC4ALDH1A1LPAR3LMNA
SCHEMBL5857277 0.81 ALDH1A1 (0.50) MAPTABCC4ALDH1A1LPAR3LMNA
SCHEMBL21068275 0.80 CYP4F2 (0.60) MAPTABCC4ALDH1A1LPAR3LMNA
SCHEMBL21068602 0.78 MAPT (0.42) MAPTABCC4ALDH1A1LPAR3LMNA
SCHEMBL2784643 0.77 PPARG (0.51) MAPTLMNAPPARGPPARDPPARA
SCHEMBL2784638 0.77 PPARG (0.51) MAPTLMNAPPARGPPARDPPARA
SCHEMBL254199 0.76 CYP4F2 (0.43) CYP4F2CYP4A11PPARGPPARDPPARA
SCHEMBL9623948 0.76 TSHR (0.42) MAPTABCC4ALDH1A1LPAR3LMNA

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
WO-2010033466-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C PROTEASE PHENOMIX CORPORATION (US) 2010-03-25 WO disclosed
WO-2010033466-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C PROTEASE PHENOMIX CORPORATION (US) 2010-03-25 WO disclosed