Crotonic Acid

Crotonic Acid

SCHEMBL4822268

CC=CC(=O)O.CCOCC

nearest known ligand 0.48

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.48
TSHR P16473 4/20 0.38
TP53 P04637 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
ALDH1A1 P00352 3/20 0.34
GABRR1 P24046 2/20 0.33
GABRR2 P28476 2/20 0.33
BLM P54132 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRR3 A8MPY1 1/20 0.33
LMNA P02545 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 SCHEMBL4822259 1.00 HCAR2 (0.48) HCAR2TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL2833047 0.87 HCAR2 (0.61) HCAR2TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL11884545 0.87 HCAR2 (0.61) HCAR2TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL6291284 0.87 HCAR2 (0.61) HCAR2TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL27742359 0.84 HCAR2 (0.58) HCAR2TSHRTP53EGLN1EGLN3
Sorbic Acid SCHEMBL6851012 0.84 HCAR2 (0.43) HCAR2TSHRTP53EGLN1EGLN3
Crotonic Acid SCHEMBL27718105 0.84
Maleic Acid SCHEMBL19900431 0.82 HCAR2 (0.56) HCAR2TSHRTP53EGLN1EGLN3
Crotonic Acid SCHEMBL3260978 0.81
Crotonic Acid SCHEMBL5706213 0.81

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
US-7399478-B2 Cosmetic, pharmaceutical and dermatological products CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2008-07-15 US disclosed
US-7297328-B2 Surfactant-free cosmetic, dermatological and pharmaceutical agents CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2007-11-20 US disclosed