SCHEMBL30736727

SCHEMBL30736727

COC(=O)c1ccc(C2CN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.47
NR1H3 Q13133 4/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HSD17B10 Q99714 3/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
ATM Q13315 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.41
ROCK2 O75116 1/20 0.41
GLA P06280 1/20 0.40
PDE4B Q07343 1/20 0.40

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
SCHEMBL12988407 0.89 NR1H2 (0.50) NR1H2NR1H3HDAC1HDAC6ALDH1A1
SCHEMBL29081483 0.87 KDM4E (0.41) NR1H2NR1H3HDAC1HDAC6HSD17B10
SCHEMBL24364782 0.87 KDM4E (0.41) NR1H2NR1H3HDAC1HDAC6HSD17B10
SCHEMBL29081486 0.87 KDM4E (0.41) NR1H2NR1H3HDAC1HDAC6HSD17B10
SCHEMBL12988409 0.85 NR1H2 (0.50) NR1H2NR1H3HDAC1HDAC6ALDH1A1
SCHEMBL31056656 0.85 NR1H2 (0.46) NR1H2NR1H3HDAC1HDAC6HSD17B10
SCHEMBL31269555 0.85 NR1H2 (0.41) NR1H2NR1H3HDAC1HDAC6HSD17B10
SCHEMBL1653727 0.85 NPC1 (0.52) NR1H2NR1H3HDAC1HDAC6HSD17B10
SCHEMBL24835249 0.84 NR1H2 (0.49) NR1H2NR1H3HDAC1HDAC6HSD17B10
SCHEMBL5458875 0.84 NPC1 (0.48) NR1H2NR1H3HDAC1HDAC6HSD17B10

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-4561575-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed