SCHEMBL8928588

SCHEMBL8928588

CCCOc1ccc(-c2nc(SCCC)nc(-c3ccc(OCCC)cc3O)n2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.46
▸ MAPT P10636 7/20 0.46
▸ RAB9A P51151 7/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 4/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ ADORA3 P0DMS8 3/20 0.43
▸ ADORA1 P30542 3/20 0.43
▸ ADORA2A P29274 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ ACACB O00763 1/20 0.40
▸ ACACA Q13085 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ GAA P10253 2/20 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
SCHEMBL8928671 0.91 LMNA (0.42) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL8929322 0.91 MAPT (0.46) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL14814841 0.87 LTA4H (0.51) NPC1MAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL29502776 0.87 LTA4H (0.51) NPC1MAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL8769004 0.86 MAPK1 (0.51) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL8929345 0.86 NPC1 (0.55) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL13021253 0.81 NPC1 (0.56) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL8928652 0.80 LMNA (0.43) NPC1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL14813417 0.79 MAPT (0.44) NPC1MAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL29502785 0.79 MAPT (0.44) NPC1MAPTRAB9ASMN1; SMN2MAPK1

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
US-5649980-A Process for the photochemical and thermal stabilization of undyed and dyed polyester fibre materials CIBA-GEIGY CORPORATION (US) 1997-07-22 — — US disclosed
EP-0584044-A1 Process for photochemical and thermal stabilization of undyert and dyert polyester fibrous materials CIBA-GEIGY AG (CH) 1994-02-23 — — EP disclosed
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