SCHEMBL31171877

SCHEMBL31171877

C[C@@H]1[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ NR1H2 P55055 2/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RECQL P46063 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL25258920 1.00 EPHX2 (0.40) EPHX2USP2SMN1; SMN2EPHX1NR1H2
SCHEMBL30523528 1.00 EPHX2 (0.40) EPHX2USP2SMN1; SMN2EPHX1NR1H2
SCHEMBL30523509 1.00 EPHX2 (0.40) EPHX2USP2SMN1; SMN2EPHX1NR1H2
SCHEMBL16984292 0.83 USP2 (0.44) EPHX2USP2SMN1; SMN2EPHX1NR1H2
SCHEMBL24716561 0.75 HPGD (0.42) EPHX2USP2SMN1; SMN2EPHX1NR1H2
SCHEMBL18149873 0.75 USP2 (0.45) EPHX2USP2SMN1; SMN2EPHX1NR1H2
SCHEMBL20973866 0.75 CHRM2 (0.42) EPHX2USP2SMN1; SMN2EPHX1NR1H2
SCHEMBL31057506 0.75 CHRM2 (0.42) EPHX2USP2SMN1; SMN2EPHX1NR1H2
SCHEMBL6114687 0.75 CHRM2 (0.45) EPHX2USP2SMN1; SMN2EPHX1NR1H2
SCHEMBL16122957 0.75 USP2 (0.43) EPHX2USP2SMN1; SMN2EPHX1NR1H2

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-4446312-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-10-16 — — EP disclosed
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