SCHEMBL8093637

SCHEMBL8093637

O=C(O)CCCCCCCCCCc1ccco1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
RXFP1 Q9HBX9 2/20 0.55
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
USP2 O75604 1/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 1/20 0.47
EPHX2 P34913 3/20 0.47
F13A1 P00488 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46

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
SCHEMBL8091454 1.00 MAPT (0.55) MAPTRXFP1ALDH1A1TDP1CYP3A4
SCHEMBL16124206 1.00 MAPT (0.55) MAPTRXFP1ALDH1A1TDP1CYP3A4
SCHEMBL11460690 1.00 MAPT (0.55) MAPTRXFP1ALDH1A1TDP1CYP3A4
SCHEMBL11722021 1.00 MAPT (0.55) MAPTRXFP1ALDH1A1TDP1CYP3A4
SCHEMBL11912385 1.00 MAPT (0.55) MAPTRXFP1ALDH1A1TDP1CYP3A4
SCHEMBL9705770 0.98 MAPT (0.52) MAPTRXFP1ALDH1A1TDP1CYP3A4
SCHEMBL2199125 0.93 MAPK1 (0.52) MAPTRXFP1ALDH1A1TDP1CYP3A4
Hydrochloric Acid SCHEMBL11635247 0.91 MAPK1 (0.50) MAPTRXFP1ALDH1A1TDP1CYP3A4
SCHEMBL30692340 0.88 EPHX2 (0.58) MAPTALDH1A1TDP1CYP3A4ALOX15
SCHEMBL4382935 0.87 ALDH1A1 (0.54) MAPTALDH1A1TDP1CYP3A4ALOX15

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