SCHEMBL8020622

SCHEMBL8020622

CN(C(=O)COc1cccc(N(CC(=O)OC(C)(C)C)C(=O)CNC(=O)Nc2cccc(C(=O)O)c2)c1)c1cc(F)cc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MITF O75030 2/20 0.38
PAX8 Q06710 1/20 0.38
HIF1A Q16665 2/20 0.38
EPAS1 Q99814 2/20 0.38
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
BDKRB2 P30411 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
CASR P41180 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL8030542 0.93 CASR (0.41) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL8036249 0.93 NR1H4 (0.41) NR1H4NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8030312 0.90 NR1H4 (0.34) NR1H4NPC1RAB9ASMN1; SMN2POLB
SCHEMBL8030746 0.89 KMT2A (0.33) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL8030749 0.88 SMN1; SMN2 (0.35) RAB9ASMN1; SMN2POLBKMT2AMEN1
SCHEMBL8030189 0.88 BDKRB2 (0.39) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL8030220 0.84 NR1H4 (0.45) NR1H4NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8029956 0.83 MLYCD (0.37) NR1H4NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8036105 0.82 MLYCD (0.36) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL8020608 0.82 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MITFPAX8

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
EP-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed