SCHEMBL8000090

SCHEMBL8000090

CCCCOc1ccc(CCCCC(=O)OCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.57
CYP4Z1 Q86W10 1/20 0.55
MAPT P10636 1/20 0.54
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
DGKA P23743 1/20 0.53
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLCO1B3 Q9NPD5 1/20 0.52
SLCO1B1 Q9Y6L6 1/20 0.52

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
SCHEMBL3487193 0.96 DGKA (0.57) LTA4HCYP4Z1LMNADGKAMEN1
SCHEMBL1667461 0.94 PLA2G4A (0.58) LTA4HMAPTLMNAL3MBTL1DGKA
SCHEMBL9258701 0.92 RARB (0.54) LTA4HMAPTLMNADGKAMEN1
SCHEMBL12548347 0.91 CYP4Z1 (0.58) LTA4HCYP4Z1L3MBTL1CYP4F2CYP4A11
SCHEMBL14534754 0.90 LTA4H (0.56) LTA4HMAPTLMNAL3MBTL1DGKA
SCHEMBL14534753 0.90 LTA4H (0.56) LTA4HMAPTLMNAL3MBTL1DGKA
SCHEMBL10929511 0.88 CYP4Z1 (0.60) CYP4Z1LMNADGKACYP4F2CYP4A11
SCHEMBL7279461 0.87 CYP4F2 (0.59) LTA4HLMNAL3MBTL1CYP4F2CYP4A11
SCHEMBL9671800 0.86 CYP4Z1 (0.65) CYP4Z1DGKACYP4F2CYP4A11ALDH1A1
SCHEMBL2386450 0.85 DGKA (0.62) LMNAL3MBTL1DGKAMEN1USP2

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-2009113320-A1 MMP INHIBITOR 株式会社ヤクルト本社 (JP) 2009-09-17 WO disclosed