SCHEMBL8210374

SCHEMBL8210374

C=C(C)COc1ccc(OCCc2cccc3c2C(=O)N(CC(=O)O)C3=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ AKR1B1 P15121 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL8191095 0.82 TDP1 (0.45) TDP1SMN1; SMN2CA12CA9NPC1
SCHEMBL8218173 0.82 TDP1 (0.45) TDP1SMN1; SMN2CA12CA9NPC1
SCHEMBL8198257 0.79 TDP1 (0.43) TDP1SMN1; SMN2CA12CA9NPC1
SCHEMBL8206768 0.77 ALDH1A1 (0.60) TDP1RAB9AALDH1A1HSD17B10HPGD
SCHEMBL29556865 0.67 CA12 (0.64) TDP1SMN1; SMN2CA12CA9AKR1B1
SCHEMBL14876148 0.67 TDP1 (0.64) TDP1SMN1; SMN2CA12CA9NPC1
SCHEMBL30097232 0.66 CA12 (0.66) TDP1SMN1; SMN2CA12CA9NPC1
SCHEMBL4303689 0.66 CA12 (0.66) TDP1SMN1; SMN2CA12CA9NPC1
SCHEMBL31050182 0.64 KMT2A (0.64) CA12CA9RAB9AALDH1A1KMT2A
SCHEMBL4234439 0.63 ATM (0.68) TDP1SMN1; SMN2CA12CA9ATM

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-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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