SCHEMBL29218762

SCHEMBL29218762

CC(C)(C)c1ccc(NC2CCC(COC(N)=O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ CNR2 P34972 4/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL29218696 0.87 MGLL (0.44) EPHX2KIF11GAACNR2
SCHEMBL29218640 0.82 KMT2A (0.47) EPHX1EPHX2KIF11GAACNR2
SCHEMBL29218799 0.82 PTGIR (0.49) EPHX2RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL29218556 0.82 L3MBTL1 (0.49) EPHX1EPHX2KIF11GAARAB9A
SCHEMBL29218546 0.81 PRSS1 (0.39) EPHX1EPHX2KMT2AMEN1MAPT
SCHEMBL29218520 0.81 ALDH1A1 (0.54) EPHX1EPHX2KIF11GAARAB9A
SCHEMBL25039677 0.81 CNR2 (0.44) EPHX1EPHX2KIF11GAACNR2
SCHEMBL29218717 0.80 EPHX1 (0.44) EPHX1EPHX2KIF11GAACNR2
SCHEMBL29218805 0.80 MAPT (0.37) CNR2CNR1RAB9AALDH1A1KMT2A
SCHEMBL25042225 0.80 CNR2 (0.43) EPHX1EPHX2KIF11GAACNR2

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
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 — — CN disclosed
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