SCHEMBL6746328

SCHEMBL6746328

CCC(O)O.O=C(O)CCCCC(O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.59
FFAR1 O14842 2/20 0.59
AKR1B1 P15121 1/20 0.52
ALDH1A1 P00352 3/20 0.52
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 5/20 0.50
PTPN1 P18031 3/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
LMNA P02545 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL39651 0.91 LMNA (0.61) FFAR4FFAR1AKR1B1ALDH1A1GPR84
Adipic Acid SCHEMBL29895908 0.91 AKR1B1 (0.62) FFAR4FFAR1AKR1B1ALDH1A1GPR84
Adipic Acid SCHEMBL769185 0.91 AKR1B1 (0.62) FFAR4FFAR1AKR1B1ALDH1A1GPR84
Adipic Acid SCHEMBL630307 0.89 FFAR4 (0.74) FFAR4FFAR1AKR1B1ALDH1A1GPR84
SCHEMBL5926323 0.88 TSHR (0.63) FFAR4FFAR1ALDH1A1GPR84PPARG
SCHEMBL11809460 0.88 TSHR (0.63) FFAR4FFAR1ALDH1A1GPR84PPARG
SCHEMBL17477592 0.88 TSHR (0.63) FFAR4FFAR1ALDH1A1GPR84PPARG
SCHEMBL16140282 0.88 TSHR (0.63) FFAR4FFAR1ALDH1A1GPR84PPARG
SCHEMBL7860210 0.88 TSHR (0.63) FFAR4FFAR1ALDH1A1GPR84PPARG
Adipic Acid SCHEMBL6361755 0.88 TSHR (0.63) FFAR4FFAR1ALDH1A1GPR84PPARG

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-6693222-B2 HYDRATING ACROLEIN USING ACID CATALYST, CATALYTICALLY HYDROGENATING PRODUCT, REFINING MIXTURE CONTAINING WATER, 1,3-PROPANEDIOL AND HIGH BOILING BY-PRODUCTS, TREATING BOILER SUMP IN AQUEOUS SOLUTION WITH ACID CATALYST, NEUTRALIZING E. I. DU PONT DE NEMOURS AND COMPANY 2004-02-17 US disclosed