SCHEMBL24255016

SCHEMBL24255016

CCC(C)(C)n1c(=O)c2cc3c(=O)n(C(C)(C)CC)c(=O)c3cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
SRC P12931 1/20 0.36
DHFR P00374 1/20 0.32
TSHR P16473 1/20 0.32
PGR P06401 1/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
THPO P40225 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
MGLL Q99685 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL24417925 0.92 GAA (0.37) ALDH1A1GAANPSR1POLBSRC
SCHEMBL15462787 0.92 ALDH1A1 (0.40) ALDH1A1GAANPSR1POLBSRC
SCHEMBL13527615 0.92 ALDH1A1 (0.44) ALDH1A1GAANPSR1POLBSRC
SCHEMBL24255183 0.82 GAA (0.37) ALDH1A1GAANPSR1POLBSRC
SCHEMBL15443110 0.82 SMN1; SMN2 (0.43) ALDH1A1NPSR1POLBLMNAMAPT
SCHEMBL24440495 0.80 GAA (0.40) ALDH1A1GAANPSR1POLBSRC
SCHEMBL13527794 0.78 ALDH1A1 (0.43) ALDH1A1GAANPSR1POLBSRC
SCHEMBL14392306 0.77 ALDH1A1 (0.46) ALDH1A1GAANPSR1POLBSRC
SCHEMBL24255093 0.77 GAA (0.34) ALDH1A1GAANPSR1POLBSRC
SCHEMBL13553156 0.75 GAA (0.37) ALDH1A1GAANPSR1POLBLMNA

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
WO-2022036307-A1 PERMANENT BONDING AND PATTERNING MATERIAL BREWER SCIENCE, INC. (US) 2022-02-17 WO disclosed