SCHEMBL9467871

SCHEMBL9467871

CCCCCC(CC)NC(=O)/C=C\C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.42
TAS1R1 Q7RTX1 4/20 0.42
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
BIRC2 Q13490 1/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PLA2G2C Q5R387 2/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DNM1 Q05193 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
MMP2 P08253 4/20 0.34
MMP3 P08254 4/20 0.34
MMP1 P03956 2/20 0.34
PLA2G2A P14555 1/20 0.34
MMP7 P09237 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
SCHEMBL2128006 0.82 ADH1B (0.43) TAS1R3TAS1R1CA1BIRC2MAPT
SCHEMBL9856300 0.81 ADH1B (0.46) TAS1R3TAS1R1CA1BIRC2MAPT
SCHEMBL15205218 0.79 TAS1R3 (0.57) TAS1R3TAS1R1
SCHEMBL15205094 0.79 TAS1R3 (0.57) TAS1R3TAS1R1
SCHEMBL10016658 0.79 TAS1R3 (0.57) TAS1R3TAS1R1
SCHEMBL7916905 0.79 CA1 (0.44) TAS1R3TAS1R1CA1CA2BIRC2
SCHEMBL7211081 0.78 ZDHHC20 (0.49) TAS1R3TAS1R1CA1PLA2G2CPLA2G2A
SCHEMBL9322958 0.78 PLA2G2C (0.44) CA1CA2MAPTPLA2G2CDNM1
SCHEMBL11805171 0.78 PLA2G2C (0.44) CA1CA2MAPTPLA2G2CDNM1
SCHEMBL6514878 0.77 ZDHHC20 (0.51) MAPTPLA2G2CPLA2G2A

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-5227446-A GRAFT COPOLYMERS OF MONOSACCHARIDES, OLIGOSACCHARIDES, POLYSACCHARIDES AND MODIFIED POLYSACCHARIDES, THE PREPARATION THEREOF, AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1993-07-13 US disclosed