SCHEMBL31491069

SCHEMBL31491069

COC(=O)C1(C)CN(C(=O)OC(C)(C)C)CCC1=C(F)F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.36
PKM P14618 2/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1H2 P55055 3/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
HDAC2 Q92769 1/20 0.35
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ADORA1 P30542 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL31406665 1.00 ESR2 (0.36) ESR2PKMUSP2SMN1; SMN2NR1H2
SCHEMBL31670041 0.91 PKM (0.35) ESR2PKMUSP2SMN1; SMN2NR1H2
SCHEMBL5251610 0.83 USP2 (0.39) ESR2USP2SMN1; SMN2NR1H2DDB1
SCHEMBL31406695 0.83 USP2 (0.39) ESR2USP2SMN1; SMN2NR1H2DDB1
SCHEMBL654686 0.83 USP2 (0.39) ESR2USP2SMN1; SMN2NR1H2DDB1
SCHEMBL31670015 0.82 PKM (0.35) ESR2PKMUSP2SMN1; SMN2NR1H2
SCHEMBL27143468 0.82 EPHX2 (0.39) ESR2USP2SMN1; SMN2NR1H2DDB1
SCHEMBL31603730 0.81 RORC (0.37) ESR2USP2SMN1; SMN2NR1H2HDAC2
SCHEMBL27143091 0.81 RORC (0.37) ESR2USP2SMN1; SMN2NR1H2HDAC2
SCHEMBL27137115 0.81 RORC (0.37) ESR2USP2SMN1; SMN2NR1H2HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025108443-A2 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE SWITZERLAND GMBH (CH) 2025-05-30 WO disclosed
WO-2025059040-A1 MUTANT KRAS MODULATORS AND USES THEREOF NEWAVE PHARMACEUTICAL INC. (US) 2025-03-20 WO disclosed
WO-2025049274-A2 TETRACYCLIC DERIVATIVES, COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed