SCHEMBL28163318

SCHEMBL28163318

O=C(Cc1ccc(CN2CCOCC2)cc1)Cc1ccc(C(=O)NC(C(=O)O)C2CCNCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 5/20 0.51
▸ EPAS1 Q99814 5/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPK1 P28482 2/20 0.45
▸ MAPT P10636 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL28163317 0.88 HIF1A (0.48) HIF1AEPAS1KDM4ENPC1RAB9A
SCHEMBL13984748 0.83 KDM4E (0.50) HIF1AEPAS1KDM4ENPC1RAB9A
SCHEMBL13266892 0.83 KDM4E (0.50) HIF1AEPAS1KDM4ENPC1RAB9A
SCHEMBL13266891 0.82 SMN1; SMN2 (0.52) HIF1AEPAS1KDM4ENPC1RAB9A
SCHEMBL13984746 0.82 SMN1; SMN2 (0.52) HIF1AEPAS1KDM4ENPC1RAB9A
SCHEMBL3015751 0.80 MMP13 (0.52) —
SCHEMBL3015745 0.80 MMP13 (0.52) —
SCHEMBL3016808 0.80 SMN1; SMN2 (0.49) HIF1AEPAS1KDM4ENPC1RAB9A
SCHEMBL3016806 0.80 SMN1; SMN2 (0.49) HIF1AEPAS1KDM4ENPC1RAB9A
SCHEMBL13244877 0.78 HIF1A (0.50) HIF1AEPAS1KDM4ENPC1RAB9A

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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