SCHEMBL18575544

SCHEMBL18575544

CC(CC(C)(C)C=O)c1cccc(C(C)CC(C)(C)C=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
RIPK1 Q13546 1/20 0.35
GRIA4 P48058 2/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 2/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPK1 P28482 3/20 0.32
ATM Q13315 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP3A4 P08684 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
BLM P54132 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL19971104 0.87 RIPK1 (0.48) RIPK1TAAR1CHRM2CHRM1CHRM3
SCHEMBL20342293 0.87 RIPK1 (0.48) RIPK1TAAR1CHRM2CHRM1CHRM3
SCHEMBL2421671 0.84 GRIA4 (0.40) RIPK1GRIA4TSHRTP53ALDH1A1
SCHEMBL20087334 0.78 RIPK1 (0.45) HDAC4HDAC2HDAC8RIPK1TAAR1
SCHEMBL9580067 0.72 HDAC4 (0.42) HDAC4HDAC2HDAC8TP53ALDH1A1
SCHEMBL30987496 0.68 HDAC4 (0.43) HDAC4HDAC2HDAC8TSHRTP53
SCHEMBL180401 0.68 HDAC4 (0.43) HDAC4HDAC2HDAC8TSHRTP53
SCHEMBL29364274 0.68 HDAC4 (0.43) HDAC4HDAC2HDAC8TSHRTP53
SCHEMBL18316475 0.68 HDAC4 (0.43) HDAC4HDAC2HDAC8TSHRTP53
SCHEMBL11785530 0.68 ACHE (0.41) HDAC4HDAC2HDAC8RIPK1TP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283550-B1 CATALYST CONTAINING AMIDINE GROUPS SIKA TECH AG (CH) 2020-12-16 EP disclosed
EP-3294803-B1 GUANIDINE GROUP CONTAINING CATALYST SIKA TECH AG (CH) 2020-12-09 EP disclosed
EP-3344678-B1 AMINE FOR LOW-EMISSION EPOXY RESIN COMPOSITIONS SIKA TECH AG (CH) 2019-07-03 EP disclosed
EP-3180382-B1 AMINE FOR LOW-EMISSION EPOXY RESIN COMPOSITIONS SIKA TECH AG (CH) 2018-10-10 EP disclosed
EP-3138864-A1 AMINE FOR LOW-EMISSION EPOXY RESIN COMPOSITIONS Sika Technology AG (CH) 2017-03-08 EP disclosed