SCHEMBL28163317

SCHEMBL28163317

CC(=O)C(c1ccc(CN2CCOCC2)cc1)c1ccc(C(=O)N[C@H](C(=O)O)C2CCNCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 4/20 0.48
▸ EPAS1 Q99814 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPT P10636 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ LMNA P02545 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
SCHEMBL28163318 0.88 HIF1A (0.51) HIF1AEPAS1KDM4ENPC1RAB9A
SCHEMBL13266891 0.81 SMN1; SMN2 (0.52) HIF1AEPAS1KDM4ENPC1RAB9A
SCHEMBL13984746 0.81 SMN1; SMN2 (0.52) HIF1AEPAS1KDM4ENPC1RAB9A
SCHEMBL13266892 0.80 KDM4E (0.50) HIF1AEPAS1KDM4ENPC1RAB9A
SCHEMBL13984748 0.80 KDM4E (0.50) HIF1AEPAS1KDM4ENPC1RAB9A
SCHEMBL28162854 0.80 KMT2A (0.50) HIF1AEPAS1KDM4ENPC1RAB9A
SCHEMBL28163359 0.80 SMN1; SMN2 (0.49) HIF1AEPAS1KDM4ENPC1RAB9A
SCHEMBL28163356 0.80 SMN1; SMN2 (0.49) HIF1AEPAS1KDM4ENPC1RAB9A
SCHEMBL3016808 0.79 SMN1; SMN2 (0.49) HIF1AEPAS1KDM4ENPC1RAB9A
SCHEMBL3016806 0.79 SMN1; SMN2 (0.49) 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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