SCHEMBL4069860

SCHEMBL4069860

CC(C)c1cc(-c2ccc(F)c(C(=O)O)c2)c(O)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
DHFR P00374 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
LMNA P02545 1/20 0.47
TTR P02766 1/20 0.47
ALB P02768 1/20 0.47
HMGB1 P09429 1/20 0.47
HPGD P15428 1/20 0.47
CXCL12 P48061 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MCL1 Q07820 5/20 0.43
MAPT P10636 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
SCHEMBL13848298 0.84 KCNA3 (0.42) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4066925 0.82 BCL2 (0.52) ACMSDMEN1KMT2AKDM4EALDH1A1
SCHEMBL4060757 0.82 HSP90AA1 (0.43) LMNAHSP90AA1AKR1C2HSP90AB1AKR1C3
SCHEMBL4069702 0.79 HSP90AA1 (0.44) LMNAHSP90AA1AKR1C2HSP90AB1AKR1C3
SCHEMBL4072687 0.79 HSD17B10 (0.48) ACMSDMEN1KMT2ADHFRKDM4E
SCHEMBL13848090 0.79 HSP90AA1 (0.46) KDM4ELMNAHSD17B10HSP90AA1HSP90AB1
SCHEMBL13848169 0.78 HSP90AA1 (0.65) KDM4EMAPTHSP90AA1HSP90AB1
SCHEMBL71656 0.78 MEN1 (0.46) MEN1KMT2AKDM4ELMNAMCL1
SCHEMBL4065970 0.75 HSP90AA1 (0.54) LMNAHSP90AA1HSP90AB1
SCHEMBL4241557 0.73 APP (0.50) LMNAMAPTHSP90AA1HSP90AB1

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