Crotonic Acid

Crotonic Acid

SCHEMBL1836282

CC=CC(=O)O.COC(C)NC(C)OC

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.41
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 0.35
KEAP1 Q14145 1/20 0.32

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 SCHEMBL1836264 1.00 HCAR2 (0.41) HCAR2ALDH1A1GAAGABRPGABRD
Fumaric Acid SCHEMBL1833869 0.89 HCAR2 (0.52) HCAR2ALDH1A1GAAGABRPGABRD
Fumaric Acid SCHEMBL1833868 0.89 HCAR2 (0.52) HCAR2ALDH1A1GAAGABRPGABRD
Fumaric Acid SCHEMBL1833863 0.89 HCAR2 (0.52) HCAR2ALDH1A1GAAGABRPGABRD
Bicarbonate SCHEMBL1834590 0.79 ALDH1A1 (0.35) HCAR2ALDH1A1KEAP1NFE2L2TSHR
Bicarbonate SCHEMBL1831708 0.79 ALDH1A1 (0.35) HCAR2ALDH1A1KEAP1NFE2L2TSHR
Crotonic Acid SCHEMBL27732615 0.78 GABRP (0.48) HCAR2ALDH1A1GAAGABRPGABRD
Crotonic Acid SCHEMBL3409842 0.78 ALDH1A1 (0.48) HCAR2ALDH1A1GAAGABRPGABRD
Acetic Acid SCHEMBL1838385 0.77 ALDH1A1 (0.40) ALDH1A1GAATSHRTP53
Oxalic Acid SCHEMBL1835274 0.77 SMN1; SMN2 (0.33) ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US claimed
US-9328220-B2 Liquids INNOVIA FILMS LIMITED (GB) 2016-05-03 US disclosed
US-8992798-B2 Liquids INNOVIA FILMS LIMITED (GB) 2015-03-31 US disclosed
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 US disclosed
US-20140187684-A1 LIQUIDS INNOVIA FILMS LIMITED (GB) 2014-07-03 US disclosed
US-20110257433-A1 LIQUIDS THE UNIVERSITY OF YORK (GB) 2011-10-20 US disclosed
EP-2322497-A1 Ionic liquids comprising nitrogen containing cations Innovia Films Limited (GB) 2011-05-18 EP disclosed
US-20080221361-A1 Ionic Liquids BIONIQS LIMITED (GB) 2008-09-11 US disclosed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US disclosed