SCHEMBL5385680

SCHEMBL5385680

CC(=O)OCC=CCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
CYP19A1 P11511 3/20 0.48
RXRA P19793 2/20 0.48
OXER1 Q8TDS5 2/20 0.48
FFAR1 O14842 1/20 0.48
ALOX15 P16050 2/20 0.44
EPHX2 P34913 1/20 0.39
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
TERT O14746 3/20 0.38
PTPN1 P18031 3/20 0.38
F7 P08709 3/20 0.38
F3 P13726 3/20 0.38
TOP1 P11387 3/20 0.38
PTGS1 P23219 3/20 0.38
BLM P54132 2/20 0.38
HSD17B10 Q99714 2/20 0.38
FABP4 P15090 2/20 0.38

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
SCHEMBL5385674 1.00 PPARG (0.48) PPARGALDH1A1MAPTCYP19A1RXRA
SCHEMBL13277587 1.00 PPARG (0.48) PPARGALDH1A1MAPTCYP19A1RXRA
SCHEMBL26919057 0.85 PPARG (0.59) PPARGALDH1A1MAPTCYP19A1OXER1
SCHEMBL14296530 0.84 ALDH1A1 (0.47) ALDH1A1MAPTALOX15PTPN1PTGS1
SCHEMBL31508640 0.84 ALDH1A1 (0.47) ALDH1A1MAPTALOX15PTPN1PTGS1
SCHEMBL11123358 0.83 PTPN1 (0.39) PPARGALDH1A1MAPTCYP19A1RXRA
SCHEMBL271027 0.82 ALDH1A1 (0.50) ALDH1A1MAPTALOX15PTPN1HSD17B10
SCHEMBL221749 0.82 ALDH1A1 (0.50) ALDH1A1MAPTALOX15PTPN1HSD17B10
SCHEMBL74779 0.82 ALDH1A1 (0.50) ALDH1A1MAPTALOX15PTPN1HSD17B10
SCHEMBL24425867 0.82 ALDH1A1 (0.43) PPARGALDH1A1MAPTCYP19A1RXRA

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4740617-A ACID CATLYSTS FOR HIGH SELECTIVITY MONSANTO COMPANY (US) 1988-04-26 US claimed
US-4736063-A OXIDATION OF ACETIC ACID AND BUTADIENE TO FORM ACETOXYHEXENOIC ACIDS; PURIFICATION AND ACID CATALYST CONVERSION MONSANTO COMPANY (US) 1988-04-05 US claimed
US-4672140-A CHEMICAL INTERMEDIATE FOR SORBIC ACID MONSANTO COMPANY (US) 1987-06-09 US claimed
EP-0083914-B1 METAL AND ACID CATALYSIS IN SORBIC ACID PREPARATION MONSANTO COMPANY (US) 1985-08-14 EP claimed
EP-0084304-B1 SORBIC ACID PROCESS WITH CRYSTALLIZATION MONSANTO COMPANY (US) 1985-08-14 EP claimed
EP-0060365-B1 PROCESS FOR PRODUCING GAMMA-VINYL-GAMMA BUTYROLACTONE MONSANTO COMPANY (US) 1985-08-07 EP claimed
EP-0055934-B1 ACYLOXY ALKENOIC ACIDS AND PROCESS THEREFOR MONSANTO COMPANY (US) 1985-03-13 EP claimed
EP-0055936-B1 SORBIC ACID PROCESS MONSANTO COMPANY (US) 1984-09-05 EP claimed
US-4460787-A COPPER OR SILVER COMPOUNDS MONSANTO COMPANY (US) 1984-07-17 US claimed
US-4400403-A INHIBITION OF MICROORGANISM GROWTH MONSANTO COMPANY (US) 1983-08-23 US claimed
EP-0084304-A1 Sorbic acid process with crystallization MONSANTO COMPANY (US) 1983-07-27 EP claimed
EP-0083914-A1 Metal and acid catalysis in sorbic acid preparation MONSANTO COMPANY (US) 1983-07-20 EP claimed
US-4380650-A Lactone process MONSANTO COMPANY (US) 1983-04-19 US claimed
EP-0055934-A2 Acyloxy alkenoic acids and process therefor MONSANTO COMPANY (US) 1982-07-14 EP claimed
EP-0055935-A2 Method for inhibiting growth of pathogens and spoilage organisms in foods and feeds; food and feed compositions containing a micro-organism inhibitor MONSANTO COMPANY (US) 1982-07-14 EP claimed
EP-0055936-A1 Sorbic acid process MONSANTO COMPANY (US) 1982-07-14 EP claimed
US-9181273-B2 Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-10 US disclosed
US-9149019-B2 Method of eliminating cat urine odor JMR, LC (US) 2015-10-06 US disclosed
EP-0055934-A2 Acyloxy alkenoic acids and process therefor MONSANTO COMPANY (US) 1982-07-14 EP disclosed
EP-0055935-A2 Method for inhibiting growth of pathogens and spoilage organisms in foods and feeds; food and feed compositions containing a micro-organism inhibitor MONSANTO COMPANY (US) 1982-07-14 EP disclosed