SCHEMBL5233085

SCHEMBL5233085

COc1cccc2c(CC(C)=O)cccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
HPGDS O60760 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL10871252 0.90 CYP2C9 (0.57) L3MBTL1CYP3A4CYP2C9HIF1AMEN1
SCHEMBL29737506 0.82 L3MBTL1 (0.64) L3MBTL1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL266821 0.82 L3MBTL1 (0.64) L3MBTL1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL8941738 0.81 L3MBTL1 (0.56) L3MBTL1CYP3A4CYP2C9HIF1AMEN1
SCHEMBL28235226 0.81 IDO1 (0.60) L3MBTL1CYP3A4MEN1KMT2AKDM4E
SCHEMBL2586902 0.81 CYP3A4 (0.53) L3MBTL1CYP3A4HIF1AMEN1KMT2A
SCHEMBL13486908 0.80 MEN1 (0.49) L3MBTL1CYP3A4CYP2C9HIF1AMEN1
SCHEMBL3581544 0.80 ATM (0.49) L3MBTL1CYP2C9HIF1AMEN1KMT2A
SCHEMBL7838089 0.78 MEN1 (0.48) L3MBTL1CYP2C9HIF1AMEN1KMT2A
SCHEMBL12861334 0.77 CYP3A4 (0.49) L3MBTL1CYP3A4MEN1KMT2ACYP1A2

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-1851232-A2 DIHYDROIMIDAZOTHIAZOLE DERIVATIVES Prosidion Limited (GB) 2007-11-07 EP disclosed
WO-2006085118-A2 DIHYDROIMIDAZOTHIAZOLE DERIVATIVES PROSIDION LIMITED (GB) 2006-08-17 WO disclosed