SCHEMBL9700716

SCHEMBL9700716

O=C(O)C=CC(=CCCO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
TP53 P04637 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
HCAR2 Q8TDS4 5/20 0.35
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
GABRR1 P24046 2/20 0.31
GABRR2 P28476 2/20 0.31
BLM P54132 2/20 0.31
GABRR3 A8MPY1 1/20 0.31
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10965615 0.87 TSHR (0.38) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL1900808 0.77 HCAR2 (0.48) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL5481525 0.76 CA1 (0.30) CA1CA9
SCHEMBL17324908 0.74 TSHR (0.43) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL277485 0.74 HCAR2 (0.46) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL14861215 0.74 GABRR1 (0.48) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL14861216 0.74 GABRR1 (0.48) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL2525505 0.71 TSHR (0.69) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL22117153 0.71 TSHR (0.69) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL215107 0.71 TSHR (0.69) TSHRTP53EGLN1EGLN3HCAR2

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-5171459-A Scale deposition inhibitor NALCO CHEMICAL COMPANY (US) 1992-12-15 US disclosed