Crotonic Acid

Crotonic Acid

SCHEMBL3410259

C/C=C/C(=O)O.CCN(CC)CC

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ EGLN3 Q9H6Z9 1/20 0.38
▸ HCAR2 Q8TDS4 6/20 0.38
▸ CYP3A4 P08684 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GABRR1 P24046 2/20 0.33
▸ GABRR2 P28476 2/20 0.33
▸ BLM P54132 2/20 0.33
▸ GABRR3 A8MPY1 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PPARA Q07869 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
Crotonic Acid SCHEMBL1519018 1.00 ALDH1A1 (0.44) ALDH1A1TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL2350872 0.87 ALDH1A1 (0.53) ALDH1A1TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL2350878 0.87 ALDH1A1 (0.53) ALDH1A1TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL5152407 0.87 ALDH1A1 (0.53) ALDH1A1TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL2350870 0.87 ALDH1A1 (0.53) ALDH1A1TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL2350866 0.87 ALDH1A1 (0.53) ALDH1A1TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL5152411 0.87 ALDH1A1 (0.53) ALDH1A1TSHRTP53EGLN1EGLN3
Crotonic Acid SCHEMBL3409845 0.85 TSHR (0.38) ALDH1A1TSHRTP53EGLN1EGLN3
Crotonic Acid SCHEMBL3409852 0.85 TSHR (0.38) ALDH1A1TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL4917909 0.84 ALDH1A1 (0.52) ALDH1A1TSHRTP53EGLN1EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265617-B1 SOLVENTS BIONIQS LTD (GB) 2014-07-02 — — EP claimed
EP-2265617-A1 SOLVENTS Bioniqs Limited (GB) 2010-12-29 — — EP claimed
WO-2009034329-A1 SOLVENTS BIONIQS LIMITED (GB) 2009-03-19 — — WO claimed
EP-2265617-B1 SOLVENTS BIONIQS LTD (GB) 2014-07-02 — — EP disclosed
EP-2265617-A1 SOLVENTS Bioniqs Limited (GB) 2010-12-29 — — EP disclosed
WO-2009034329-A1 SOLVENTS BIONIQS LIMITED (GB) 2009-03-19 — — WO disclosed
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