SCHEMBL5710091

SCHEMBL5710091

CC1(C)CC(=O)C=C1C=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HIF1A Q16665 1/20 0.31
PAX8 Q06710 1/20 0.31

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
SCHEMBL9497401 0.74 L3MBTL1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL11244350 0.69
SCHEMBL124554 0.67 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL1071743 0.67 NPC1 (0.30) ALDH1A1MAPTNPSR1LMNANPC1
SCHEMBL9693145 0.66 L3MBTL1 (0.33) ALDH1A1MEN1KMT2AL3MBTL1HIF1A
SCHEMBL9691487 0.66 L3MBTL1 (0.33) ALDH1A1MEN1KMT2AL3MBTL1HIF1A
SCHEMBL444616 0.65 L3MBTL1 (0.46) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL4428965 0.64
SCHEMBL7529638 0.64 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL5710191 0.62 GAA (0.39) ALDH1A1MEN1KMT2AL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311231-B1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KGAA (DE) 2006-11-22 EP claimed
EP-1311231-A1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-21 EP claimed
WO-2001097762-A1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO claimed
EP-1311231-B1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KGAA (DE) 2006-11-22 EP disclosed
EP-1311231-A1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-21 EP disclosed
WO-2001097762-A1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO disclosed