SCHEMBL8080040

SCHEMBL8080040

CCCCCOc1ccc(CCCCC(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
LMNA P02545 2/20 0.68
S1PR1 P21453 5/20 0.64
S1PR3 Q99500 3/20 0.64
S1PR4 O95977 2/20 0.64
PLA2G4B P0C869 5/20 0.63
GAA P10253 1/20 0.60
S1PR5 Q9H228 2/20 0.59
MEN1 O00255 1/20 0.57
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPK1 P28482 1/20 0.57
CASP1 P29466 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SLCO1B3 Q9NPD5 1/20 0.57
SLCO1B1 Q9Y6L6 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
SCHEMBL2185966 0.98 S1PR1 (0.67) FFAR1L3MBTL1LMNAS1PR1S1PR3
SCHEMBL9663932 0.98 S1PR1 (0.67) FFAR1L3MBTL1LMNAS1PR1S1PR3
SCHEMBL11845832 0.98 S1PR1 (0.67) FFAR1L3MBTL1LMNAS1PR1S1PR3
SCHEMBL2185272 0.98 S1PR1 (0.67) FFAR1L3MBTL1LMNAS1PR1S1PR3
SCHEMBL7995811 0.97 LMNA (0.71) FFAR1L3MBTL1LMNAS1PR1S1PR3
SCHEMBL16686916 0.95 LMNA (0.69) FFAR1L3MBTL1LMNAS1PR1S1PR3
SCHEMBL9663920 0.95 LMNA (0.69) FFAR1L3MBTL1LMNAS1PR1S1PR3
SCHEMBL7995339 0.95 LMNA (0.69) FFAR1L3MBTL1LMNAS1PR1S1PR3
SCHEMBL8001563 0.95 LMNA (0.69) FFAR1L3MBTL1LMNAS1PR1S1PR3
SCHEMBL9259693 0.94 S1PR1 (0.62) FFAR1L3MBTL1LMNAS1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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