SCHEMBL8972385

SCHEMBL8972385

C=CC(CC(O)CO)N1C(=O)C2C3C=CC(C3)C2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
RAB9A P51151 2/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.37
PKM P14618 1/20 0.37
RECQL P46063 2/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8971870 0.82 TSHR (0.48) HTTRAB9ATSHRUSP2HSD17B10
SCHEMBL8971864 0.82 HTT (0.43) HTTRAB9ATSHRUSP2HSD17B10
SCHEMBL8854362 0.79 MEN1 (0.44) HTTRAB9ATSHRUSP2HSD17B10
SCHEMBL8972074 0.76 MEN1 (0.44) HTTRAB9ATSHRUSP2HSD17B10
SCHEMBL8971307 0.75 TSHR (0.42) HTTRAB9ATSHRUSP2HSD17B10
SCHEMBL8971396 0.74 TSHR (0.41) HTTRAB9ATSHRUSP2HSD17B10
SCHEMBL8971337 0.74 ALDH1A1 (0.46) HTTRAB9ATSHRUSP2HSD17B10
SCHEMBL8971763 0.74 MEN1 (0.39) HTTRAB9ATSHRUSP2HSD17B10
SCHEMBL8854355 0.73 ALDH1A1 (0.55) HTTTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL8971581 0.72 MEN1 (0.44) HTTRAB9ATSHRUSP2HSD17B10

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-5521260-A ALKENYLNADIMIDE, VINYL COMPOUND, PHENOLIC RESIN MARUZEN PETROCHEMICAL CO., LTD. (JP) 1996-05-28 US disclosed