SCHEMBL8080157

SCHEMBL8080157

CCOC(=O)C(CCCCCCCOc1ccccc1)C(=O)OCC

nearest known ligand 0.88

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.88
L3MBTL1 Q9Y468 6/20 0.69
MAPK1 P28482 4/20 0.69
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
MAPT P10636 3/20 0.67
CRHBP P24387 1/20 0.65
CRHR2 Q13324 1/20 0.65
TSHR P16473 2/20 0.64
ALDH1A1 P00352 1/20 0.64
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNA3 P22001 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
LTA4H P09960 1/20 0.47
RECQL P46063 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
SCHEMBL11022539 1.00 TDP1 (0.88) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7571535 1.00 TDP1 (0.88) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7429207 0.98 TDP1 (0.91) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7429680 0.95 TDP1 (0.81) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7434380 0.94 TDP1 (0.83) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7426974 0.94 TDP1 (1.00) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL11565405 0.93 TDP1 (0.76) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7636957 0.93 TDP1 (0.76) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7644500 0.93 TDP1 (0.76) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL7638526 0.91 TDP1 (0.78) TDP1L3MBTL1MAPK1MEN1KMT2A

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