SCHEMBL9175258

SCHEMBL9175258

CC(C)(C)c1cc(CCCCC(=O)O)cc(C(C)(C)C)c1O.[Ar]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.55
KMT2A Q03164 4/20 0.51
VCAM1 P19320 3/20 0.50
MAPT P10636 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 4/20 0.45
TSHR P16473 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 2/20 0.45
BLM P54132 2/20 0.45
ATM Q13315 2/20 0.45
HIF1A Q16665 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
USP2 O75604 1/20 0.45
CYP2D6 P10635 1/20 0.45
LMNA P02545 4/20 0.45
RECQL P46063 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL1278399 0.98 GAA (0.56) GAAKMT2AVCAM1MAPTRXFP1
SCHEMBL28432360 0.97 GAA (0.55) GAAKMT2AVCAM1MAPTRXFP1
SCHEMBL39476 0.97 GAA (0.55) GAAKMT2AVCAM1MAPTRXFP1
SCHEMBL11739838 0.97 GAA (0.55) GAAKMT2AVCAM1MAPTRXFP1
SCHEMBL11725011 0.97 GAA (0.55) GAAKMT2AVCAM1MAPTRXFP1
SCHEMBL1278250 0.93 GAA (0.58) GAAKMT2AVCAM1MAPTMEN1
Methane SCHEMBL4595782 0.92 GAA (0.56) GAAKMT2AVCAM1MAPTMEN1
Methane SCHEMBL19206302 0.92 GAA (0.56) GAAKMT2AVCAM1MAPTMEN1
SCHEMBL2399238 0.88 GAA (0.47) GAAKMT2AVCAM1MAPTRXFP1
SCHEMBL39190 0.86 GAA (0.66) GAAKMT2AVCAM1MAPTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426573-B1 Phenoxypropylamine derivatives or salts thereof and antiulcer agents containing the same TERUMO CORP (JP) 1995-05-24 EP disclosed
US-5037837-A 5-lipoxygenase inhibitor TERUMO KABUSHIKI KAISHA (JP) 1991-08-06 US disclosed
EP-0426573-A2 Phenoxypropylamine derivatives or salts thereof and antiulcer agents containing the same TERUMO KABUSHIKI KAISHA (JP) 1991-05-08 EP disclosed