SCHEMBL4248920

SCHEMBL4248920

COc1cc(OC)c(C(C)C)cc1C(=O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
THRB P10828 1/20 0.46
RORC P51449 1/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL28307124 0.79 HMGCR (0.51) HIF1AMEN1KMT2APOLBGAA
SCHEMBL22354782 0.77 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL382778 0.77 HPGD (0.55) POLBGAANPSR1TSHRKCNK3
SCHEMBL1019564 0.76 HPGD (0.49) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL7411650 0.76 USP2 (0.50) HIF1AUSP2TP53MEN1KMT2A
SCHEMBL3282912 0.76 NPC1 (0.63) USP2TP53MEN1KMT2ASMN1; SMN2
SCHEMBL29861033 0.76 NPC1 (0.63) USP2TP53MEN1KMT2ASMN1; SMN2
SCHEMBL17637149 0.75 HSD11B1 (0.63) USP2TP53MEN1KMT2ASMN1; SMN2
SCHEMBL4062484 0.75 HSP90AA1 (0.63) HIF1ATP53MEN1KMT2ASMN1; SMN2
SCHEMBL28292159 0.75 POLB (0.46) MEN1KMT2ANPC1HTTPOLB

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