SCHEMBL6302015

SCHEMBL6302015

CCCn1ccc(=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
HTT P42858 5/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
APOBEC3A P31941 2/20 0.42
APOBEC3G Q9HC16 2/20 0.42
PABPC1 P11940 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
GALR3 O60755 2/20 0.41
POLB P06746 2/20 0.41
ATM Q13315 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RAD52 P43351 1/20 0.41
PAX8 Q06710 1/20 0.41
NR2F2 P24468 1/20 0.41

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
SCHEMBL11346000 0.86 NPC1 (0.53) NPC1RAB9AHTTLMNAALDH1A1
SCHEMBL1159335 0.84 NPC1 (0.62) NPC1RAB9AHTTLMNAALDH1A1
SCHEMBL7278816 0.82 NPC1 (0.63) NPC1RAB9AHTTLMNAALDH1A1
SCHEMBL31041847 0.82 NPC1 (0.63) NPC1RAB9AHTTLMNAALDH1A1
SCHEMBL11611315 0.82 NPC1 (0.63) NPC1RAB9AHTTLMNAALDH1A1
SCHEMBL9813218 0.75 SMN1; SMN2 (0.39) SMN1; SMN2
SCHEMBL4375225 0.75 CA12 (0.47) NPC1RAB9AHTTLMNAALDH1A1
SCHEMBL9244967 0.75 TERT (0.43) LMNAALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL28061025 0.75 SMN1; SMN2 (0.36) NPC1RAB9AHTTLMNAALDH1A1
SCHEMBL7455057 0.71 KDM4E (0.39) NPC1RAB9AHTTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116621775-A 2-amino-5-hydroxytetrahydronaphthalene derivative containing hydroxypyridone side chain, preparation and application thereof 浙江大学 2023-08-22 CN claimed
CN-116621775-A 2-amino-5-hydroxytetrahydronaphthalene derivative containing hydroxypyridone side chain, preparation and application thereof 浙江大学 2023-08-22 CN disclosed
CN-114831116-B Application of acetic acid phyllyl ester in preventing and treating meloidogyne incognita 浙江大学 2023-01-06 CN disclosed
CN-114831116-A Application of acetic acid leaf alcohol ester in preventing and treating meloidogyne incognita 浙江大学 2022-08-02 CN disclosed
US-6890937-B2 Aromatic sulfone hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION (US) 2005-05-10 US disclosed
US-6750233-B2 SELECTIVITY PHARMACIA CORPORATION 2004-06-15 US disclosed
US-6541489-B1 Excellent inhibitory activity of one or more matrix metalloprotease (MMP) enzymes, such as MMP-2, MMP-9, and MMP-13, while exhibiting substantially less inhibition at least of MMP- 1 G. D. SEARLE & COMPANY 2003-04-01 US disclosed
WO-1989009211-A1 PROCESS FOR PRODUCING PYRID-4-ONES THE ROYAL FREE HOSPITAL SCHOOL OF MEDICINE (GB) 1989-10-05 WO disclosed
EP-0335745-A1 Process for producing pyrid-4-ones THE ROYAL FREE HOSPITAL SCHOOL OF MEDICINE (GB) 1989-10-04 EP disclosed
US-4855420-A Cephalosporin derivatives ICI PHARMA (FR) 1989-08-08 US disclosed
US-4678781-A BACTERICIDAL ANTIBIOTICS ICI PHARMA (FR) 1987-07-07 US disclosed