SCHEMBL8337256

SCHEMBL8337256

CC(O)C(=O)CCc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.60
MMP12 P39900 1/20 0.59
MMP13 P45452 1/20 0.59
SRD5A2 P31213 1/20 0.54
FFAR4 Q5NUL3 3/20 0.52
PLAAT3 P53816 1/20 0.49
PLAAT5 Q96KN8 1/20 0.49
PLAAT2 Q9NWW9 1/20 0.49
PLAAT4 Q9UL19 1/20 0.49
ACACB O00763 3/20 0.48
ACACA Q13085 3/20 0.48
EPHX2 P34913 1/20 0.47
CES1 P23141 2/20 0.46
NPY5R Q15761 1/20 0.45

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
SCHEMBL8334717 0.85 FFAR4 (0.58) FFAR1MMP12MMP13SRD5A2FFAR4
SCHEMBL5926621 0.82 FFAR1 (0.90) FFAR1MMP12MMP13SRD5A2FFAR4
SCHEMBL691726 0.81 ALDH1A1 (0.59) FFAR1
SCHEMBL5927538 0.79 FFAR1 (0.64) FFAR1MMP12MMP13SRD5A2FFAR4
SCHEMBL10416274 0.79 ALDH1A1 (0.62) FFAR1
SCHEMBL8337882 0.78 FFAR4 (0.53) FFAR1MMP12MMP13FFAR4PLAAT3
SCHEMBL10672259 0.77 FFAR1 (0.74) FFAR1SRD5A2FFAR4PLAAT3PLAAT5
SCHEMBL2774842 0.76 FFAR1 (1.00) FFAR1SRD5A2FFAR4PLAAT3PLAAT5
SCHEMBL28835314 0.76 FFAR1 (0.79) FFAR1SRD5A2FFAR4PLAAT3PLAAT5
SCHEMBL8337858 0.76 SLC13A5 (0.56) FFAR1FFAR4

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
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO disclosed