SCHEMBL24315873

SCHEMBL24315873

C/C=C\C(Br)=C(/C)NCC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 6/20 0.37
TRPA1 O75762 1/20 0.37
PPID Q08752 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
PPIB P23284 1/20 0.35
PPIA P62937 1/20 0.35
PPIG Q13427 1/20 0.35
KDM4E B2RXH2 2/20 0.35
EPHX2 P34913 1/20 0.35
CNR2 P34972 1/20 0.34
NLRP3 Q96P20 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
SCHEMBL265676 0.78 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18733436 0.73 GAA (0.53) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL48270 0.70 GAA (0.59) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11286508 0.70 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11286533 0.70 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7830394 0.70 GAA (0.53) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13895096 0.69 GAA (0.49) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4693345 0.69 GAA (0.57) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7946756 0.68 PPID (0.62) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7089973 0.68 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1

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-2022081925-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed