SCHEMBL8079984

SCHEMBL8079984

CCCCc1ccc(CCCCCCC(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.69
RXFP1 Q9HBX9 1/20 0.69
ALDH1A1 P00352 4/20 0.67
S1PR1 P21453 3/20 0.67
S1PR3 Q99500 3/20 0.67
S1PR2 O95136 2/20 0.67
HSD17B10 Q99714 2/20 0.67
HPGD P15428 1/20 0.67
FAAH O00519 1/20 0.60
SCD O00767 1/20 0.59
PPARG P37231 6/20 0.59
PPARD Q03181 6/20 0.59
PPARA Q07869 6/20 0.59
GPR84 Q9NQS5 5/20 0.59
HDAC11 Q96DB2 5/20 0.59
TSHR P16473 4/20 0.59
TLR2 O60603 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
FABP4 P15090 2/20 0.59
PTPN1 P18031 2/20 0.59

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
SCHEMBL25173315 1.00 MAPT (0.69) MAPTRXFP1ALDH1A1S1PR1S1PR3
SCHEMBL20853926 0.98 ALDH1A1 (0.69) MAPTRXFP1ALDH1A1S1PR1S1PR3
SCHEMBL11838563 0.96 S1PR1 (0.71) MAPTRXFP1ALDH1A1S1PR1S1PR3
SCHEMBL711608 0.96 S1PR1 (0.71) MAPTRXFP1ALDH1A1S1PR1S1PR3
SCHEMBL10845802 0.96 S1PR1 (0.71) MAPTRXFP1ALDH1A1S1PR1S1PR3
SCHEMBL25170021 0.96 S1PR1 (0.71) MAPTRXFP1ALDH1A1S1PR1S1PR3
SCHEMBL879250 0.96 S1PR1 (0.71) MAPTRXFP1ALDH1A1S1PR1S1PR3
SCHEMBL25167617 0.96 S1PR1 (0.71) MAPTRXFP1ALDH1A1S1PR1S1PR3
SCHEMBL8087476 0.96 S1PR1 (0.71) MAPTRXFP1ALDH1A1S1PR1S1PR3
SCHEMBL11849076 0.96 S1PR1 (0.71) MAPTRXFP1ALDH1A1S1PR1S1PR3

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 5 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-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