SCHEMBL3393359

SCHEMBL3393359

COc1ccccc1-c1cc(C)n(C(=O)O)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
ADORA2A P29274 1/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ADORA3 P0DMS8 2/20 0.44
HSP90AA1 P07900 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
FABP3 P05413 1/20 0.43
HSD11B1 P28845 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42

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
SCHEMBL13426460 0.83 KDM4E (0.46) GAAKDM4EALDH1A1POLBMAPT
SCHEMBL3391977 0.82 MAPT (0.47) GAAKDM4EALDH1A1POLBMAPT
SCHEMBL3433500 0.79 PDE4B (0.48) KDM4EALDH1A1POLBTP53HPGD
SCHEMBL3436590 0.74 CA12 (0.52) GAAKDM4EALDH1A1POLBMAPT
SCHEMBL3394134 0.74 PRKAB2 (0.45) KDM4EALDH1A1POLBHPGDRXFP1
SCHEMBL3434182 0.71 ALDH1A1 (0.48) KDM4EALDH1A1MAPTTP53HPGD
SCHEMBL13425851 0.70 MAPT (0.41) GAAKDM4EALDH1A1POLBMAPT
SCHEMBL3395627 0.70 ALPL (0.47) KDM4EALDH1A1HPGDHSP90AA1HSD11B1
SCHEMBL19438160 0.69 DCTPP1 (0.44) GAAKDM4EALDH1A1POLBMAPT
SCHEMBL19438164 0.69 DCTPP1 (0.44) GAAKDM4EALDH1A1POLBMAPT

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed