SCHEMBL6074841

SCHEMBL6074841

CCCCCCCCOC(=O)C(C)Oc1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.57
GAA P10253 1/20 0.57
XBP1 P17861 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ESRRA P11474 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ESR1 P03372 2/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
APP P05067 4/20 0.42
NR1H4 Q96RI1 1/20 0.41
STS P08842 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
SCHEMBL11395068 0.84 L3MBTL1 (0.54) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL31316557 0.81 GAA (0.49) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL9956554 0.81 GAA (0.49) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL18155236 0.81 ESR1 (0.47) L3MBTL1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL14355901 0.81 ESR1 (0.47) L3MBTL1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL3800346 0.80 NR5A1 (0.56) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL9699885 0.80 NR5A1 (0.56) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL5634319 0.80 NR5A1 (0.56) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL11654654 0.80 NR5A1 (0.56) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL224103 0.80 NR5A1 (0.56) ATMGAAXBP1NPSR1L3MBTL1

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
US-7060425-B1 Color photographic material CIBA SPECIALTY CHEMICALS CORP. (US) 2006-06-13 US disclosed
EP-1131674-B1 COLOUR PHOTOGRAPHIC MATERIAL CIBA SC HOLDING AG (CH) 2005-07-27 EP disclosed
EP-1131674-A1 COLOUR PHOTOGRAPHIC MATERIAL Ciba SC Holding AG (CH) 2001-09-12 EP disclosed
WO-2000023849-A1 COLOUR PHOTOGRAPHIC MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-04-27 WO disclosed