SCHEMBL8568825

SCHEMBL8568825

[Ti]OCCCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 9/20 0.52
▸ IDO1 P14902 1/20 0.52
▸ MAOA P21397 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ MAOB P27338 2/20 0.48
▸ NAAA Q02083 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
SCHEMBL626848 0.82 TDP1 (0.61) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL7449325 0.82 TDP1 (0.61) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL8048487 0.82 TDP1 (0.61) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL7449055 0.82 TDP1 (0.61) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL11516805 0.82 SIGMAR1 (0.56) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL7448881 0.82 TDP1 (0.61) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL8100057 0.81 SIGMAR1 (0.71) SIGMAR1MAOAL3MBTL1MAPTRXFP1
SCHEMBL2823250 0.81 SIGMAR1 (0.71) SIGMAR1MAOAL3MBTL1MAPTRXFP1
SCHEMBL1226782 0.81 SIGMAR1 (0.71) SIGMAR1MAOAL3MBTL1MAPTRXFP1
SCHEMBL2822511 0.81 SIGMAR1 (0.71) SIGMAR1MAOAL3MBTL1MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728641-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1998-03-17 — — US disclosed
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