SCHEMBL8191095

SCHEMBL8191095

CC(C)(O)C(=O)c1ccc(OCCc2cccc3c2C(=O)N(CC(=O)O)C3=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ATM Q13315 2/20 0.40
▸ AKR1B1 P15121 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ EDNRA P25101 2/20 0.37

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
SCHEMBL8198257 0.89 TDP1 (0.43) TDP1SMN1; SMN2CA12CA9NPC1
SCHEMBL8218173 0.86 TDP1 (0.45) TDP1SMN1; SMN2CA12CA9NPC1
SCHEMBL8210374 0.82 TDP1 (0.47) TDP1SMN1; SMN2CA12CA9NPC1
SCHEMBL7696703 0.78 ALDH1A1 (0.57) TDP1NPC1RAB9AKMT2AHPGD
SCHEMBL21679595 0.75 PPARG (0.41) NPC1RAB9ALMNAPKMMAPT
SCHEMBL8205701 0.75 HPGD (0.64) TDP1SMN1; SMN2NPC1RAB9AATM
SCHEMBL19998344 0.70 PKM (0.64) NPC1RAB9AKMT2ALMNAPKM
SCHEMBL20006396 0.68 MAPT (0.47) RAB9ALMNAPKMALDH1A1MAPT
SCHEMBL12994172 0.67 PKM (0.53) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL7778728 0.67 ALDH1A1 (0.54) TDP1NPC1RAB9AKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767803-B1 METHOD OF GENERATING A REACTIVE SPECIES AND APPLICATIONS THEREFOR KIMBERLY CLARK CO (US) 2000-08-23 — — EP claimed
EP-0994125-A1 Method of generating a reactive species and applications thereof KIMBERLY-CLARK CORPORATION (US) 2000-04-19 — — EP claimed
EP-0799246-B1 IMPROVED MUTABLE COMPOSITION KIMBERLY CLARK CO (US) 2000-11-15 — — EP disclosed
EP-1020478-A1 Method of making a substrate comprising a colored composition by using an improved mutable composition and so produced substrate Kimberly-Clark Worldwide, Inc. (US) 2000-07-19 — — EP disclosed
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