SCHEMBL31669964

SCHEMBL31669964

COC=C1CCN(C(=O)OC(C)(C)C)C[C@@]1(C)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR1H2 P55055 3/20 0.35
RORC P51449 2/20 0.35
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GRM5 P41594 4/20 0.34
GRM1 Q13255 4/20 0.34
ADORA1 P30542 1/20 0.33
HDAC2 Q92769 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
SCHEMBL27143091 0.88 RORC (0.37) ESR2USP2SMN1; SMN2NR1H2RORC
SCHEMBL27137115 0.88 RORC (0.37) ESR2USP2SMN1; SMN2NR1H2RORC
SCHEMBL31603730 0.88 RORC (0.37) ESR2USP2SMN1; SMN2NR1H2RORC
SCHEMBL29614642 0.84 NR1H2 (0.41) ESR2USP2SMN1; SMN2NR1H2RORC
SCHEMBL29614722 0.84 NR1H2 (0.41) ESR2USP2SMN1; SMN2NR1H2RORC
SCHEMBL31406695 0.82 USP2 (0.39) ESR2USP2SMN1; SMN2NR1H2EPHX2
SCHEMBL5251610 0.82 USP2 (0.39) ESR2USP2SMN1; SMN2NR1H2EPHX2
SCHEMBL654686 0.82 USP2 (0.39) ESR2USP2SMN1; SMN2NR1H2EPHX2
SCHEMBL31565399 0.81 ESR2 (0.40) ESR2USP2SMN1; SMN2NR1H2ALDH1A1
SCHEMBL27143468 0.81 EPHX2 (0.39) ESR2USP2SMN1; SMN2NR1H2RORC

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-4596551-A1 COMPOUNDS WITH ANTI-KRAS MUTANT TUMOR ACTIVITY Trasveda Ltd. (KY) 2025-08-06 EP disclosed