SCHEMBL29218753

SCHEMBL29218753

NC(=O)OC1CCC(Nc2ccc3ccccc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ DPP8 Q6V1X1 2/20 0.43
▸ DPP9 Q86TI2 2/20 0.43
▸ DPP7 Q9UHL4 2/20 0.43
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA13 Q8N1Q1 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTR1E P28566 1/20 0.41
▸ S1PR3 Q99500 1/20 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
SCHEMBL29218635 0.87 EPHX2 (0.40) HTTRAB9AMEN1KMT2ANPC1
SCHEMBL29218821 0.81 LTA4H (0.50) HTTRAB9AHPGDMAPTNPC1
SCHEMBL29218593 0.81 KCNQ3 (0.47) RAB9AHPGDMEN1KMT2ANPC1
SCHEMBL29256183 0.81 ALDH1A1 (0.50) HTTRAB9AHPGDDPP8DPP9
SCHEMBL29218644 0.80 GFER (0.45) HTTRAB9ALMNAMAPTNPC1
SCHEMBL29218716 0.79 ALDH1A1 (0.43) RAB9ALMNAMAPTNPC1EPHX1
SCHEMBL28487447 0.77 EPHX2 (0.45) RAB9AMEN1KMT2ANPC1EPHX1
SCHEMBL29218828 0.77 EPHX2 (0.45) RAB9AMEN1KMT2ANPC1EPHX1
SCHEMBL29218851 0.77 POLB (0.46) RAB9ALMNANPC1EPHX1FAAH
SCHEMBL25039415 0.76 KDM1A (0.52) HTTRAB9AHPGDDPP8DPP9

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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