SCHEMBL7449055

SCHEMBL7449055

c1ccc(CCCCCCCOCCCCCCCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SIGMAR1 Q99720 6/20 0.56
IDO1 P14902 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAOA P21397 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53
MAOB P27338 1/20 0.52
MAPT P10636 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
NAAA Q02083 1/20 0.50

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
SCHEMBL7449325 1.00 TDP1 (0.61) TDP1L3MBTL1SIGMAR1IDO1MEN1
SCHEMBL626848 1.00 TDP1 (0.61) TDP1L3MBTL1SIGMAR1IDO1MEN1
SCHEMBL8048487 1.00 TDP1 (0.61) TDP1L3MBTL1SIGMAR1IDO1MEN1
SCHEMBL7448881 1.00 TDP1 (0.61) TDP1L3MBTL1SIGMAR1IDO1MEN1
SCHEMBL198056 0.98 IDO1 (0.58) TDP1L3MBTL1SIGMAR1IDO1MEN1
SCHEMBL196951 0.90 IDO1 (0.67) TDP1L3MBTL1SIGMAR1IDO1MEN1
SCHEMBL454150 0.90 TDP1 (0.53) TDP1L3MBTL1SIGMAR1IDO1MEN1
SCHEMBL2670017 0.90 KCNH2 (0.59) TDP1L3MBTL1SIGMAR1MEN1KMT2A
SCHEMBL9574223 0.90 TDP1 (0.53) TDP1L3MBTL1SIGMAR1IDO1MEN1
SCHEMBL22268758 0.90 KCNH2 (0.59) TDP1L3MBTL1SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP disclosed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed