SCHEMBL30823799

SCHEMBL30823799

COc1cccc(C2CC(C)(C)C(C)(C)NC2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.56
CRBN Q96SW2 1/20 0.56
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP19A1 P11511 1/20 0.44
HTR2C P28335 2/20 0.43
MAPK1 P28482 1/20 0.42
HSD11B1 P28845 1/20 0.42
KDM1A O60341 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GID4 Q8IVV7 1/20 0.41
USP2 O75604 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
SCHEMBL28644757 1.00 DDB1 (0.56) DDB1CRBNNPC1MEN1KMT2A
SCHEMBL28653281 0.83 DDB1 (0.52) DDB1CRBNMEN1KMT2AALDH1A1
SCHEMBL28926766 0.79 DDB1 (0.45) DDB1CRBNKMT2AKDM1ALMNA
SCHEMBL28653243 0.78 MMP13 (0.43) DDB1CRBNMEN1KMT2AALDH1A1
SCHEMBL8303883 0.74 DDB1 (0.74) DDB1CRBNNPC1MEN1KMT2A
SCHEMBL26053605 0.72 CRBN (1.00) DDB1CRBNNPC1MEN1KMT2A
SCHEMBL28639814 0.72 DDB1 (0.49) DDB1CRBNNPC1MEN1KMT2A
SCHEMBL28639815 0.72 DDB1 (0.49) DDB1CRBNNPC1MEN1KMT2A
SCHEMBL27351818 0.71 DDB1 (0.66) DDB1CRBNNPC1MEN1KMT2A
SCHEMBL317942 0.71 DDB1 (0.54) DDB1CRBNNPC1MEN1KMT2A

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
CN-113461599-B Process for preparing piperidone compounds 南方科技大学 2024-02-09 CN disclosed