SCHEMBL27687571

SCHEMBL27687571

COc1ccc(C(=O)O)c(OC)c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.58
▸ FABP4 P15090 1/20 0.58
▸ FABP5 Q01469 1/20 0.58
▸ MAPT P10636 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ CDC25B P30305 2/20 0.49
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ PDE4A P27815 3/20 0.47
▸ PDE4B Q07343 3/20 0.47
▸ PDE4C Q08493 3/20 0.47
▸ PDE4D Q08499 3/20 0.47
▸ APAF1 O14727 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ CASP6 P55212 1/20 0.46
▸ CACNA1B Q00975 1/20 0.46
▸ APBA1 Q02410 1/20 0.46
▸ MCL1 Q07820 1/20 0.46

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
SCHEMBL7273539 0.87 MAPT (0.60) FABP3FABP4FABP5MAPTTDP1
SCHEMBL17258266 0.82 FABP4 (0.57) FABP3FABP4FABP5MAPTTDP1
SCHEMBL14675660 0.81 FABP4 (0.56) FABP3FABP4FABP5MAPTTDP1
Benzene SCHEMBL27688092 0.80 MAPT (0.70) MAPTTDP1CDC25BKDM4EALDH1A1
SCHEMBL10442502 0.80 MAPT (0.56) FABP3FABP4FABP5MAPTTDP1
SCHEMBL16109256 0.80 PDE4B (0.53) FABP3FABP4FABP5MAPTTDP1
SCHEMBL8186901 0.80 CYP1A2 (0.51) FABP3FABP4FABP5MAPTTDP1
SCHEMBL5845535 0.79 FABP4 (0.70) FABP3FABP4FABP5TDP1CDC25B
SCHEMBL7423032 0.79 PDE4B (0.58) FABP3FABP4FABP5MAPTTDP1
SCHEMBL2510102 0.79 FABP4 (0.54) FABP3FABP4FABP5MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1938323-A Silinane compounds as cysteine protease inhibitors SCHERING AG (DE) 2007-03-28 — — CN claimed
CN-1938323-A Silinane compounds as cysteine protease inhibitors SCHERING AG (DE) 2007-03-28 — — CN disclosed
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