SCHEMBL13086364

SCHEMBL13086364

CC(C)(C)OC(=O)NCC(=O)Oc1cc(C(=O)O)ccc1OCCCON(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
MAPT P10636 2/20 0.40
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
NCOA1 Q15788 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 2/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL13086523 0.91 ALDH1A1 (0.41) HPGDALDH1A1TSHRMAPTKDM4E
SCHEMBL13086256 0.90 ALDH1A1 (0.42) HPGDALDH1A1TSHRMAPTKDM4E
SCHEMBL13086369 0.85 EPHX2 (0.40) HPGDALDH1A1TSHRMAPTEPHX2
SCHEMBL13086335 0.85 ALDH1A1 (0.42) HPGDALDH1A1TSHRMAPTEPHX2
SCHEMBL13086405 0.84 EPHX2 (0.41) HPGDALDH1A1TSHRMAPTEPHX2
SCHEMBL13086319 0.80 PTGS2 (0.35) HPGDALDH1A1TSHRMAPTEPHX2
SCHEMBL13086356 0.77 ALDH1A1 (0.41) HPGDALDH1A1TSHRMAPTKDM4E
SCHEMBL13086368 0.77 ALDH1A1 (0.41) HPGDALDH1A1TSHRMAPTKDM4E
SCHEMBL13086375 0.76 PDE4A (0.44) HPGDALDH1A1TSHRKDM4EPOLB
SCHEMBL2781215 0.76 ALDH1A1 (0.40) HPGDALDH1A1TSHRMAPTKDM4E

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-2010118968-A1 NO-DONOR ASPIRIN DERIVATIVES NICOX S.A. (FR) 2010-10-21 WO disclosed