SCHEMBL13680783

SCHEMBL13680783

O=CCCc1cccc(-c2ccc(OCO)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.45
FFAR4 Q5NUL3 2/20 0.45
AKR1B1 P15121 1/20 0.45
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
MMP3 P08254 1/20 0.40
F2 P00734 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
GSTP1 P09211 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
NR4A2 P43354 1/20 0.38
MCL1 Q07820 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL16631060 0.84 FFAR1 (0.56) FFAR1FFAR4AKR1B1PTGER4PTGER3
SCHEMBL13680784 0.82 ABL1 (0.50) FFAR1GPR52
SCHEMBL2302446 0.81 FFAR4 (0.46) FFAR1FFAR4AKR1B1GSTP1GPR52
SCHEMBL13680791 0.81 GAA (0.55) FFAR1FFAR4AKR1B1GPR52
SCHEMBL13680792 0.81 MEN1 (0.42) FFAR1FFAR4AKR1B1F2ACMSD
SCHEMBL418611 0.80 GPR52 (0.50) FFAR1FFAR4AKR1B1ACMSDGPR52
SCHEMBL13680786 0.79 CHRM2 (0.46)
SCHEMBL8367734 0.79 DRD1 (0.52) PTGER4
SCHEMBL13681368 0.79 AOC3 (0.40) FFAR1FFAR4AKR1B1GPR52
SCHEMBL13680799 0.78 ACHE (0.52) FFAR1

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed