SCHEMBL9189561

SCHEMBL9189561

Cc1ccc(Oc2cccc(C3CC(=O)CC(=O)C3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 4/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SLC5A2 P31639 1/20 0.44
▸ ADAMTS5 Q9UNA0 1/20 0.43
▸ DRD2 P14416 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ ADAM17 P78536 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTR2C P28335 1/20 0.36

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
SCHEMBL13454071 0.88 GAA (0.62) GAAMAPTHTTTDP1ALOX5
SCHEMBL12676484 0.86 MAPT (0.47) GAAMAPTADAMTS5DRD2ALOX5
SCHEMBL12676478 0.86 ALOX5 (0.54) GAAMAPTHTTALOX5MAOB
SCHEMBL9162305 0.82 GAA (0.52) GAAMAPTHTTTDP1ALOX5
SCHEMBL12676472 0.81 GAA (0.49) GAAMAPTHTTADAMTS5ALDH1A1
SCHEMBL14941711 0.80 HTR2C (0.55) GAAMAPTDRD2NPC1POLB
SCHEMBL12676485 0.80 GAA (0.47) GAAMAPTHTTADAMTS5ALOX5
SCHEMBL13454072 0.80 GAA (0.51) GAAMAPTHTTALDH1A1FFAR4
SCHEMBL9163336 0.79 ALOX5 (0.56) GAAMAPTHTTALOX5MAOB
SCHEMBL12676477 0.78 MAPT (0.60) GAAMAPTTDP1L3MBTL1DRD2

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-0381291-B1 Oximino ether compounds SHELL INT RESEARCH (NL) 1995-08-23 — — EP disclosed
EP-0381291-A1 Oximino ether compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-08-08 — — EP disclosed
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