SCHEMBL30999955

SCHEMBL30999955

COC(=O)c1cc(=O)n(Cc2ccc(OC)cc2)c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 3/20 0.51
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2B Q13224 2/20 0.47
HTT P42858 1/20 0.46
MTOR P42345 1/20 0.46
PTGS2 P35354 1/20 0.46
MAPK8 P45983 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL4762572 0.80 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4256455 0.75 GAA (0.72) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6510914 0.75 KDM4E (0.65) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8566733 0.75 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7656248 0.72 KDM4E (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9412479 0.72 ALDH1A1 (0.72) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL18732826 0.72 HTT (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9412738 0.72 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7969932 0.71 MTNR1A (0.76) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3797821 0.71 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658262-A1 BICYCLIC IMIDE COMPOUNDS AS TRPA1 INHIBITORS D.E. Shaw Research, LLC (US) 2025-12-10 EP disclosed
WO-2024163333-A1 BICYCLIC IMIDE COMPOUNDS AS TRPA1 INHIBITORS D. E. SHAW RESEARCH, LLC (US) 2024-08-08 WO disclosed