SCHEMBL26041506

SCHEMBL26041506

COC(=O)C1CC(=O)CC(C)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.37
BRD4 O60885 1/20 0.36
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36
MEN1 O00255 1/20 0.35
CCKBR P32239 1/20 0.34
PDE5A O76074 3/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL24346570 1.00 KDM4E (0.40) KDM4EHSD17B10TSHRHTTKMT2A
SCHEMBL24346569 1.00 KDM4E (0.40) KDM4EHSD17B10TSHRHTTKMT2A
SCHEMBL26041476 1.00 KDM4E (0.40) KDM4EHSD17B10TSHRHTTKMT2A
SCHEMBL3072000 0.88 KMT2A (0.43) KDM4EHSD17B10TSHRHTTKMT2A
SCHEMBL3072002 0.88 KMT2A (0.43) KDM4EHSD17B10TSHRHTTKMT2A
SCHEMBL3072005 0.81 KMT2A (0.41) KDM4EHSD17B10TSHRHTTKMT2A
SCHEMBL25370397 0.79 CYP2D6 (0.41) KDM4ETSHRHTTKMT2AALDH1A1
SCHEMBL23002166 0.79 CYP2D6 (0.41) KDM4ETSHRHTTKMT2AALDH1A1
SCHEMBL16635019 0.76
SCHEMBL202780 0.73 ALDH1A1 (0.48) KDM4EHSD17B10TSHRHTTKMT2A

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
EP-4223368-A1 MACROCYCLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2023-08-09 EP disclosed