SCHEMBL8080022

SCHEMBL8080022

CCCOc1ccc(C=CCCCC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.59
L3MBTL1 Q9Y468 3/20 0.55
LMNA P02545 1/20 0.55
ALB P02768 1/20 0.54
LTB4R Q15722 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.54
ABCG2 Q9UNQ0 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
FFAR1 O14842 1/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
S1PR1 P21453 3/20 0.49
S1PR3 Q99500 2/20 0.49
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL8080020 1.00 PPARA (0.59) PPARAL3MBTL1LMNAALBLTB4R
SCHEMBL8087464 0.96 PPARA (0.62) PPARAL3MBTL1LMNAALBLTB4R
SCHEMBL8087469 0.96 PPARA (0.62) PPARAL3MBTL1LMNAALBLTB4R
SCHEMBL8080152 0.96 PPARA (0.61) PPARAL3MBTL1LMNAALBLTB4R
SCHEMBL8080149 0.96 PPARA (0.61) PPARAL3MBTL1LMNAALBLTB4R
SCHEMBL10740476 0.89 PPARA (0.57) PPARALMNAALBLTB4RLTB4R2
SCHEMBL10740482 0.89 PPARA (0.57) PPARALMNAALBLTB4RLTB4R2
SCHEMBL8088510 0.84 NPC1 (0.62) PPARAL3MBTL1ALBLTB4RLTB4R2
SCHEMBL8088506 0.84 NPC1 (0.62) PPARAL3MBTL1ALBLTB4RLTB4R2
SCHEMBL8862104 0.82 LTB4R (0.65) PPARALTB4RLTB4R2NPC1RAB9A

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