SCHEMBL29218783

SCHEMBL29218783

CC1CC(c2ccc(NC3CCC(OC(N)=O)CC3)cc2)CC(C)O1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.34
▸ SYK P43405 4/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ EML4 Q9HC35 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ NPY5R Q15761 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL29218677 0.85 HDAC3 (0.39) MAPTSYKEML4ALKNPY5R
SCHEMBL29218694 0.82 HDAC8 (0.41) MAPTSYKALDH1A1FFAR4NPC1
SCHEMBL29218827 0.81 SYK (0.39) MAPTSYKALDH1A1NPC1
SCHEMBL29218599 0.80 MAPT (0.48) MAPTSYKL3MBTL1KMT2AATM
SCHEMBL29218572 0.80 EML4 (0.36) MAPTSYKEML4ALKNPY5R
SCHEMBL25039365 0.79 KDM1A (0.42) —
SCHEMBL25042030 0.77 KDM1A (0.47) MAPTL3MBTL1KMT2AALDH1A1NPC1
SCHEMBL29218716 0.76 ALDH1A1 (0.43) MAPTALDH1A1NPC1RAB9A
SCHEMBL29218654 0.76 EPHX2 (0.33) MAPTSYKEML4ALK
SCHEMBL29218828 0.75 EPHX2 (0.45) KMT2ANPC1RAB9A

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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