SCHEMBL8323907

SCHEMBL8323907

CC(C)(C)OC(=O)CCC1Cc2cc(C(=O)O)ccc2O1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
FFAR4 Q5NUL3 4/20 0.43
FFAR1 O14842 3/20 0.43
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
HRH3 Q9Y5N1 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
RXRA P19793 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
RAB9A P51151 1/20 0.34
ACHE P22303 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL27491543 0.86 TDP1 (0.53) TDP1FFAR4FFAR1POLBAPEX1
SCHEMBL7795998 0.83 TDP1 (0.58) TDP1FFAR4FFAR1POLBAPEX1
SCHEMBL8330974 0.81 FFAR4 (0.48) FFAR4FFAR1HRH3RORC
SCHEMBL16742113 0.78 TDP1 (0.66) TDP1POLBAPEX1RECQLHRH3
SCHEMBL8936900 0.77 TDP1 (0.57) TDP1POLBAPEX1RECQL
SCHEMBL9188629 0.77 TDP1 (0.57) TDP1POLBAPEX1RECQL
SCHEMBL8042033 0.75 FFAR4 (0.43) FFAR4FFAR1
SCHEMBL8042036 0.75 AR (0.46)
SCHEMBL7627993 0.73 TDP1 (0.52) TDP1ALDH1A1
SCHEMBL8131638 0.71 TDP1 (0.56) TDP1POLBAPEX1RECQLALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed