SCHEMBL8079999

SCHEMBL8079999

O=C(O)CCCCCCCCC=Cc1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
HCAR2 Q8TDS4 1/20 0.50
TBXAS1 P24557 1/20 0.49
FFAR1 O14842 4/20 0.48
ALDH1A1 P00352 7/20 0.44
F7 P08709 5/20 0.44
F3 P13726 5/20 0.44
CYP19A1 P11511 3/20 0.44
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.44
ALOX15 P16050 3/20 0.44
HSD17B10 Q99714 3/20 0.44
OXER1 Q8TDS5 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 2/20 0.44
PTGS1 P23219 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44

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
SCHEMBL11472125 1.00 HPGD (0.53) HPGDHCAR2TBXAS1FFAR1ALDH1A1
SCHEMBL8091430 1.00 HPGD (0.53) HPGDHCAR2TBXAS1FFAR1ALDH1A1
SCHEMBL11472124 1.00 HPGD (0.53) HPGDHCAR2TBXAS1FFAR1ALDH1A1
SCHEMBL8079997 1.00 HPGD (0.53) HPGDHCAR2TBXAS1FFAR1ALDH1A1
SCHEMBL8091429 1.00 HPGD (0.53) HPGDHCAR2TBXAS1FFAR1ALDH1A1
SCHEMBL2946481 0.87 HCAR2 (0.45) HPGDHCAR2TBXAS1ALDH1A1MAPT
SCHEMBL11462800 0.81 HCAR2 (0.43) HPGDHCAR2ALDH1A1MAPTLMNA
SCHEMBL11462799 0.81 HCAR2 (0.43) HPGDHCAR2ALDH1A1MAPTLMNA
SCHEMBL31619660 0.78 NPC1 (0.59) HPGDFFAR1ALDH1A1F7F3
SCHEMBL15688422 0.78 MAPT (0.49) HCAR2ALDH1A1MAPTLMNAPTGS1

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 6 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
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