SCHEMBL28115910

SCHEMBL28115910

Cc1cc(OCC(=O)Nc2cccc(C(=O)O)c2)ccc1C(C)C.[NaH]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.65
RAB9A P51151 6/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
HIF1A Q16665 4/20 0.64
EPAS1 Q99814 4/20 0.64
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
ALDH1A1 P00352 3/20 0.63
MITF O75030 1/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
PAX8 Q06710 1/20 0.60
KLF5 Q13887 1/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 1/20 0.53

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
SCHEMBL59705 0.99 NPC1 (0.66) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL2947575 0.89 MDH1 (0.60) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL28837191 0.88 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL29606712 0.88 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL2950872 0.88 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL2947496 0.86 MEN1 (0.79) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL2960933 0.84 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL2950201 0.83 NPC1 (0.69) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL28115906 0.83 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2957003 0.83 HIF1A (0.72) NPC1RAB9ASMN1; SMN2HIF1AEPAS1

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-104056278-B 1,2,4-oxadiazole benzoic acid compounds PTC 治疗公司 2017-01-18 CN disclosed