SCHEMBL9168046

SCHEMBL9168046

CC(C=CC#N)=C(C=CC(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
TP53 P04637 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
HCAR2 Q8TDS4 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 2/20 0.31
RECQL P46063 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9724880 0.80
SCHEMBL9452156 0.75
Methacrylic Acid SCHEMBL7602994 0.74 TSHR (0.33) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL8799194 0.73
SCHEMBL996827 0.73
SCHEMBL10423 0.73
SCHEMBL17912275 0.73 TSHR (0.47) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL16178704 0.72 HCAR2 (0.39) HCAR2MEN1KMT2A
SCHEMBL11460249 0.71
Ammonia Solution, Strong SCHEMBL28313820 0.71

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372622-B1 Acrylic precursor for carbon fibres and method for its preparation ENICHEM FIBRE SPA (IT) 1995-04-12 EP disclosed
EP-0372622-A2 Acrylic precursor for carbon fibres and method for its preparation ENICHEM FIBRE S.p.A. (IT) 1990-06-13 EP disclosed