SCHEMBL31716619

SCHEMBL31716619

CC(C)(C)OC(=O)Cc1ccc2c3c(n(C(=O)OC(C)(C)C)c2c1)CCCC3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
FABP4 P15090 1/20 0.38
PLA2G7 Q13093 1/20 0.37
NR1H2 P55055 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTR6 P50406 1/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL31716314 0.91 KDM4E (0.41) TSHRALDH1A1KDM4EHSD17B10FABP4
SCHEMBL31716058 0.82 CCNB2 (0.43) TSHRALDH1A1KDM4EHSD17B10FABP4
SCHEMBL28883032 0.79 TSHR (0.55) TSHRALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL7488308 0.75 CCNB2 (0.53) TSHRALDH1A1KDM4EHSD17B10NR1H2
SCHEMBL7547754 0.75 HTR6 (0.55) TSHRALDH1A1KDM4EHSD17B10NR1H2
SCHEMBL17316685 0.72 CACNA1H (0.45) TSHRALDH1A1KDM4EHSD17B10MAPT
SCHEMBL29605256 0.70 L3MBTL1 (0.57) TSHRALDH1A1KDM4EHSD17B10NR1H2
SCHEMBL1005056 0.70 BAZ2B (0.46) NR1H2HDAC1HDAC6
SCHEMBL1871941 0.70 ESR2 (0.40) ALDH1A1NR1H2HDAC1HDAC6HTR6
SCHEMBL16441047 0.68 ESR2 (0.46) KDM4ENR1H2SMN1; SMN2MAPTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025227032-A1 METHODS FOR DEGRADATION OF CYCLIN K AND INHIBITION OF CYCLIN DEPENDENT KINASES REMIX THERAPEUTICS INC. (US) 2025-10-30 WO disclosed