SCHEMBL10262178

SCHEMBL10262178

C=C(COc1ccc(COc2ccc(CCC(=O)OCC)cn2)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.43
HPGD P15428 2/20 0.41
FFAR4 Q5NUL3 1/20 0.40
ACACB O00763 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
LTA4H P09960 5/20 0.39
ACACA Q13085 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL434950 0.90 MAPT (0.47) FFAR1HPGDFFAR4NR1H4ALDH1A1
SCHEMBL433419 0.85 FFAR1 (0.52) FFAR1HPGDFFAR4ACACBNR1H4
SCHEMBL433418 0.85 FFAR1 (0.52) FFAR1HPGDFFAR4ACACBNR1H4
SCHEMBL197785 0.76 ALDH1A1 (0.51) FFAR1HPGDACACBNR1H4ACACA
SCHEMBL3091164 0.76 FFAR1 (0.68) FFAR1FFAR4NR1H4LTA4HALDH1A1
SCHEMBL18469380 0.75 MAPT (0.61) LTA4HALDH1A1MAPTGAARAB9A
SCHEMBL2773462 0.74 FFAR1 (0.68) FFAR1FFAR4NR1H4ALDH1A1CYP4F2
SCHEMBL8550447 0.74 ABCB1 (0.57) FFAR1HPGDFFAR4LTA4HALDH1A1
SCHEMBL434809 0.73 FFAR1 (0.59) FFAR1FFAR4
SCHEMBL434810 0.73 FFAR1 (0.59) 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-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 WO disclosed