SCHEMBL11627752

SCHEMBL11627752

Nc1cccc(CC(=O)OCCOc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAOB P27338 3/20 0.49
MAOA P21397 2/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 1/20 0.46
PARP10 Q53GL7 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL11625396 0.88 ALOX5 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL11327416 0.85 ALDH1A1 (0.61) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5441092 0.82 ALDH1A1 (0.69) KMT2AALDH1A1MAOBMAOATHRB
SCHEMBL11628910 0.81 YWHAG (0.42) KMT2AALDH1A1KDM4EMAOBMAOA
SCHEMBL11630161 0.81 PPARG (0.43) ALDH1A1MAOBMAOAMAPK1L3MBTL1
SCHEMBL11628393 0.80 YWHAG (0.42) SMN1; SMN2ALDH1A1MAOBMAOATSHR
SCHEMBL13812980 0.80 RAB9A (0.66) NPC1RAB9ASMN1; SMN2MAOBMAOA
SCHEMBL11629527 0.80 MTNR1A (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8852497 0.78 TSHR (0.48) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9771889 0.78 RAB9A (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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
US-4067726-A 3-Ureido phenylacetamide herbicides BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed