SCHEMBL4070902

SCHEMBL4070902

CC(C)c1cc(C(=O)c2ccc(Cl)cc2)c(O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
BCL2 P10415 2/20 0.48
MCL1 Q07820 2/20 0.48
HSP90AA1 P07900 9/20 0.47
HSP90AB1 P08238 2/20 0.46
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
MAPK1 P28482 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
NR4A1 P22736 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL4528286 0.89 LMNA (0.63) LMNABCL2MCL1CNR1CNR2
SCHEMBL4061329 0.87 BCL2 (0.50) LMNABCL2MCL1HSP90AA1HSP90AB1
SCHEMBL4069050 0.84 BCL2 (0.67) LMNABCL2MCL1HSP90AA1HSP90AB1
SCHEMBL4247963 0.82 LMNA (0.52) LMNABCL2MCL1HSP90AA1MAPK1
SCHEMBL4069791 0.82 HPGD (0.60) LMNABCL2MCL1HSP90AA1HSP90AB1
SCHEMBL28000168 0.81 HSP90AA1 (0.54) LMNABCL2MCL1HSP90AA1HSP90AB1
SCHEMBL11212476 0.78 MAPK1 (0.52) LMNAHSP90AA1CNR1CNR2MAPK1
SCHEMBL4057923 0.77 BCL2 (0.50) BCL2MCL1HSP90AA1HSP90AB1HDAC3
SCHEMBL4069509 0.77 HSP90AA1 (0.48) LMNABCL2MCL1HSP90AA1HSP90AB1
SCHEMBL15214045 0.77 NR4A1 (0.61) BCL2MCL1MAPK1NR4A1

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
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed