SCHEMBL29324841

SCHEMBL29324841

COc1c(CC(=O)O)cccc1C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.45
▸ NR1H4 Q96RI1 2/20 0.44
▸ AKR1B1 P15121 1/20 0.43
▸ MMP2 P08253 4/20 0.43
▸ MMP12 P39900 4/20 0.43
▸ MMP9 P14780 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ RIN1 Q13671 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ MMP8 P22894 3/20 0.41
▸ MMP13 P45452 3/20 0.41
▸ MMP14 P50281 3/20 0.41
▸ MMP16 P51512 3/20 0.41

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
SCHEMBL31346659 1.00 BCAT2 (0.45) BCAT2NR1H4AKR1B1MMP2MMP12
SCHEMBL9079419 0.86 AKR1B1 (0.52) AKR1B1MMP2MMP12MMP9TDP1
SCHEMBL27379969 0.85 BCAT2 (0.44) BCAT2NR1H4AKR1B1MMP2MMP12
SCHEMBL2238583 0.83 LMNA (0.49) AKR1B1MMP2MMP12MMP9TDP1
SCHEMBL12477045 0.81 PTGDR2 (0.47) NR1H4AKR1B1MMP2MMP12MMP9
SCHEMBL31410739 0.80 NR1H4 (0.43) BCAT2NR1H4AKR1B1MMP2MMP12
SCHEMBL28710222 0.80 SMN1; SMN2 (0.46) KDM4EPOLBMAPTHSD17B10LMNA
SCHEMBL14764349 0.79 MMP2 (0.48) AKR1B1MMP2MMP12MMP9TDP1
SCHEMBL14693750 0.79 PTGS2 (0.51) AKR1B1MMP2MMP12MMP9TDP1
SCHEMBL11073817 0.79 AKR1B1 (0.60) AKR1B1MMP2MMP12MMP9TDP1

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-4400499-A1 GLUTARIMIDE COMPOUND AND USE THEREOF Medshine Discovery Inc. (CN) 2024-07-17 — — EP disclosed
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