SCHEMBL9400239

SCHEMBL9400239

O=C(O)CCC[CH]CCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.55
GPR84 Q9NQS5 1/20 0.50
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
LMNA P02545 5/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
TSHR P16473 2/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
MAPT P10636 3/20 0.43
ABCC4 O15439 1/20 0.43
PPARG P37231 3/20 0.42
KMT2A Q03164 3/20 0.42
TOP1 P11387 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP19A1 P11511 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
F7 P08709 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL11583701 0.89 LMNA (0.59) CAMK2AGPR84FFAR1FFAR4LMNA
SCHEMBL8015405 0.84
SCHEMBL8075328 0.84 LMNA (0.61) FFAR1LMNASLC22A6TSHRNFKB1
SCHEMBL6387092 0.82
SCHEMBL7863631 0.81 LMNA (0.65) GPR84FFAR1FFAR4LMNASLC22A6
SCHEMBL8459757 0.81 GPR84 (0.73) CAMK2AGPR84FFAR1FFAR4LMNA
SCHEMBL7755056 0.80 PPARG (0.57) CAMK2AFFAR1LMNAMAPTPPARG
SCHEMBL480068 0.80 CAMK2A (0.55) CAMK2AGPR84FFAR1FFAR4LMNA
SCHEMBL7755043 0.80 PPARG (0.57) CAMK2AFFAR1LMNAMAPTPPARG
SCHEMBL8671826 0.79 LMNA (0.67) GPR84FFAR1FFAR4LMNASLC22A6

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-5296166-A Method of manufacturing emulsions LEONG JERRY (US) 1994-03-22 US disclosed