SCHEMBL28847817

SCHEMBL28847817

O=C(Cc1ccc(CN2CCOCC2)cc1)Cc1ccc(C(=O)NC(C(=O)NO)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.55
▸ EPAS1 Q99814 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.54
▸ HDAC1 Q13547 4/20 0.51
▸ HDAC4 P56524 3/20 0.51
▸ KCNH2 Q12809 2/20 0.51
▸ RAB9A P51151 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ LMNA P02545 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL13267167 0.92 HIF1A (0.57) HIF1AEPAS1ALDH1A1HDAC1HDAC4
SCHEMBL13984818 0.92 HIF1A (0.57) HIF1AEPAS1ALDH1A1HDAC1HDAC4
SCHEMBL13267197 0.90 HIF1A (0.55) HIF1AEPAS1ALDH1A1HDAC1HDAC4
SCHEMBL3007221 0.89 HIF1A (0.54) HIF1AEPAS1ALDH1A1
SCHEMBL3007224 0.89 HIF1A (0.54) HIF1AEPAS1ALDH1A1
SCHEMBL13245281 0.82 HIF1A (0.47) HIF1AEPAS1ALDH1A1HDAC1HDAC4
SCHEMBL13267169 0.79 HIF1A (0.56) HIF1AEPAS1ALDH1A1HDAC1RAB9A
SCHEMBL13984817 0.79 HIF1A (0.56) HIF1AEPAS1ALDH1A1HDAC1RAB9A
SCHEMBL13267483 0.78 NPC1 (0.47) HIF1AEPAS1ALDH1A1HDAC1RAB9A
SCHEMBL13267378 0.77 NPC1 (0.50) HIF1AEPAS1ALDH1A1HDAC1RAB9A

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-107021895-A Antiseptic 尔察祯有限公司 2017-08-08 — — CN disclosed
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