SCHEMBL11809374

SCHEMBL11809374

CCC(/C=C\C(=O)O)=C(\C)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 6/20 0.40
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FFAR3 O14843 1/20 0.33
THRB P10828 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 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
SCHEMBL11740585 1.00 TSHR (0.41) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL10505511 0.81 TSHR (0.45) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL10505521 0.81 TSHR (0.45) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL7512236 0.79 TSHR (0.43) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL11745115 0.78
SCHEMBL3842600 0.77 TSHR (0.41) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL3842599 0.77 TSHR (0.41) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL11123967 0.77 TSHR (0.60) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL29778246 0.77 TSHR (0.60) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL6697953 0.77 TSHR (0.60) 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-3991112-A Methylated muconic acid hydrazides SUN RESEARCH AND DEVELOPMENT CO. (US) 1976-11-09 US disclosed