SCHEMBL13426352

SCHEMBL13426352

COc1ccc(-c2cc(C)n(C(=O)OC(C)(C)C)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 5/20 0.47
HPGD P15428 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 2/20 0.45
PDE4B Q07343 2/20 0.44
PDE4D Q08499 2/20 0.44
ATM Q13315 1/20 0.44
CTSL P07711 1/20 0.42
STAT3 P40763 1/20 0.42
CASP1 P29466 1/20 0.41

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
SCHEMBL13425947 0.86 MAPT (0.44) KDM4EMAPTADORA3GPR119
SCHEMBL13425813 0.86 KLK3 (0.48) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL1862123 0.86 HTT (0.53) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL13425885 0.85 PTGS2 (0.43) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL13426485 0.85 KDM4E (0.43) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL13425845 0.85 TSHR (0.43) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL13425437 0.85 F2RL3 (0.39) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL13426579 0.84 ALDH1A1 (0.40) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL13426455 0.83 HTT (0.45) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL13426404 0.82 GPR119 (0.43) ALDH1A1KDM4EHPGDCASP1GPR119

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