SCHEMBL7995339

SCHEMBL7995339

CCCCOc1ccc(CCCCCC(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
FFAR1 O14842 2/20 0.66
S1PR1 P21453 6/20 0.62
S1PR3 Q99500 4/20 0.62
S1PR4 O95977 1/20 0.62
PLA2G4B P0C869 3/20 0.60
S1PR5 Q9H228 1/20 0.59
MEN1 O00255 1/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAPK1 P28482 1/20 0.58
CASP1 P29466 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SLCO1B3 Q9NPD5 1/20 0.58
SLCO1B1 Q9Y6L6 1/20 0.58
MAPT P10636 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57

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
SCHEMBL9663920 1.00 LMNA (0.69) LMNAL3MBTL1FFAR1S1PR1S1PR3
SCHEMBL8001563 1.00 LMNA (0.69) LMNAL3MBTL1FFAR1S1PR1S1PR3
SCHEMBL7995811 0.98 LMNA (0.71) LMNAL3MBTL1FFAR1S1PR1S1PR3
SCHEMBL11845832 0.97 S1PR1 (0.67) LMNAL3MBTL1FFAR1S1PR1S1PR3
SCHEMBL2185966 0.97 S1PR1 (0.67) LMNAL3MBTL1FFAR1S1PR1S1PR3
SCHEMBL9663932 0.97 S1PR1 (0.67) LMNAL3MBTL1FFAR1S1PR1S1PR3
SCHEMBL2185272 0.97 S1PR1 (0.67) LMNAL3MBTL1FFAR1S1PR1S1PR3
SCHEMBL3488843 0.95 LMNA (0.68) LMNAL3MBTL1FFAR1S1PR1S1PR3
SCHEMBL28886751 0.95 LMNA (0.68) LMNAL3MBTL1FFAR1S1PR1S1PR3
SCHEMBL28382026 0.95 LMNA (0.68) LMNAL3MBTL1FFAR1S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009113320-A1 MMP INHIBITOR 株式会社ヤクルト本社 (JP) 2009-09-17 WO disclosed
US-6048989-A PARASITICIDES AND ANTIBROTOZOA AGENTS WASHINGTON UNIVERSITY (US) 2000-04-11 US disclosed
US-6025511-A A MYRISTIC ACID SELECTED ANALOGS FOR INHIBITING THE BIOSYNTHESIS OF THE GLYCOSYL PHOSPHATIDYLINOSITOL (GPI) ANCHOR OF THE PARASITE WASHINGTON UNIVERSITY (US) 2000-02-15 US disclosed
US-6001869-A CONTACTING THE PARASITE WITH 2-THIENYL-UNDECENOIC ACID/10-/ WASHINGTON UNIVERSITY (US) 1999-12-14 US disclosed
US-5998642-A Thienyl-containing fatty acid glycosyl phosphatidylinosital analogues used for inhibiting parasitic activity WASHINGTON UNIVERSITY (US) 1999-12-07 US disclosed
US-5760259-A MYRISTIC ACID DERIVATIVES CAPABLE OF INHIBITING BIOSYNTHESIS OF PARASITE'S ANCHORING GROUP WASHINGTON UNIVERSITY (US) 1998-06-02 US disclosed
US-5747537-A Method of inhibiting parasitic activity WASHINGTON UNIVERSITY (US) 1998-05-05 US disclosed