SCHEMBL10796228

SCHEMBL10796228

CCCCCC(O)O.CCOC(=O)CCCCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.57
FFAR1 O14842 2/20 0.57
PAM P19021 2/20 0.53
AKR1B1 P15121 1/20 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 4/20 0.50
PTPN1 P18031 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 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
SCHEMBL10792882 0.93 MAPT (0.56) PAMTSHRALDH1A1TDP1MEN1
Hexanoate SCHEMBL28780836 0.88 AKR1B1 (0.67) FFAR4FFAR1PAMAKR1B1GPR84
Hexanoate SCHEMBL28619075 0.88 AKR1B1 (0.67) FFAR4FFAR1PAMAKR1B1GPR84
Hexanoate SCHEMBL1637436 0.88 AKR1B1 (0.67) FFAR4FFAR1PAMAKR1B1GPR84
Hexanoate SCHEMBL28586009 0.88 AKR1B1 (0.67) FFAR4FFAR1PAMAKR1B1GPR84
Hexanoate SCHEMBL16681737 0.88 AKR1B1 (0.67) FFAR4FFAR1PAMAKR1B1GPR84
SCHEMBL26108879 0.87 PAM (0.57) FFAR4FFAR1PAMAKR1B1GPR84
SCHEMBL27092902 0.87 PAM (0.53) FFAR4FFAR1PAMAKR1B1GPR84
SCHEMBL23354615 0.86 PAM (0.69) FFAR4FFAR1PAMAKR1B1GPR84
Heptanoate SCHEMBL11396715 0.86 PAM (0.69) FFAR4FFAR1PAMAKR1B1GPR84

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-4675177-A ALUMINUM-ZIRCONIUM SALTS, LACTATE ESTERS OF LOWER ALKANOLS AMERICAN CYANAMID COMPANY (US) 1987-06-23 US disclosed