SCHEMBL8894595

SCHEMBL8894595

COc1ccc(COC(=O)C(=O)OCc2ccccc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
LDHA P00338 1/20 0.54
ABCB1 P08183 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
APP P05067 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
RXRA P19793 1/20 0.50

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
SCHEMBL9640098 0.89 LDHA (0.47) KMT2ALDHAABCB1ABCG2ALDH1A1
SCHEMBL28718046 0.87 ALDH1A1 (0.57) KMT2ALDHAALDH1A1SMN1; SMN2LMNA
SCHEMBL7060334 0.86 KMT2A (0.58) KMT2AALDH1A1CYP1A2CYP3A4L3MBTL1
SCHEMBL6281909 0.85 CYP1A2 (0.64) KMT2ALDHAALDH1A1CYP1A2CYP3A4
SCHEMBL29453853 0.83 LDHA (0.60) KMT2ALDHAALDH1A1LMNAMAPT
SCHEMBL292813 0.83 LDHA (0.60) KMT2ALDHAALDH1A1LMNAMAPT
SCHEMBL13034119 0.82 MTNR1A (0.62) KMT2AABCB1ABCG2ALDH1A1SMN1; SMN2
SCHEMBL7059347 0.82 KMT2A (0.54) KMT2AALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL7059352 0.82 KMT2A (0.54) KMT2AALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL292812 0.82 ALDH1A1 (0.57) KMT2ALDHAALDH1A1CYP1A2CYP3A4

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
US-5633231-A CYTOMEGALOVIRUS BAYER AKTIENGESELLSCHAFT (DE) 1997-05-27 US claimed