SCHEMBL9251049

SCHEMBL9251049

N#Cc1ccc(-c2ccc(C(=O)CC(=O)O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.58
MMP2 P08253 2/20 0.53
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
EGLN1 Q9GZT9 2/20 0.48
MMP13 P45452 2/20 0.48
MMP12 P39900 1/20 0.48
HAO1 Q9UJM8 3/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
MMP3 P08254 2/20 0.47
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
HDAC2 Q92769 1/20 0.45
FLT1 P17948 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.45
DEGS1 O15121 1/20 0.44
FFAR1 O14842 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 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
SCHEMBL7981349 0.94 GSK3B (0.63) GSK3BMMP2CA1CA2RAB9A
Ethylene SCHEMBL8830351 0.91 GSK3B (0.59) GSK3BMMP2CA1CA2RAB9A
SCHEMBL17857765 0.91 GSK3B (0.63) GSK3BMMP2CA1CA2MMP13
SCHEMBL6829508 0.86 GSK3B (0.58) GSK3BMMP2CA1CA2RAB9A
SCHEMBL11983785 0.85 GSK3B (0.70) GSK3BCA1CA2RAB9ASMN1; SMN2
SCHEMBL7862874 0.84 SMN1; SMN2 (0.66) GSK3BMMP2CA1CA2MMP13
SCHEMBL17973377 0.84 GSK3B (0.56) GSK3BMMP2CA1CA2MMP13
SCHEMBL28043310 0.81 KMT2A (0.65) GSK3BCA1CA2ERCC5FEN1
SCHEMBL6291931 0.80 GSK3B (0.89) GSK3BMMP2CA1CA2MMP3
SCHEMBL8532726 0.79 ERCC5 (0.71) GSK3BHAO1ERCC5FEN1FFAR1

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-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed