SCHEMBL27722452

SCHEMBL27722452

O=Cc1ccc(OC(=O)c2ccccc2)cc1.O=S(=O)(O)c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.55
MAPT P10636 8/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.55
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PARP10 Q53GL7 1/20 0.49
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 5/20 0.46
HSP90AA1 P07900 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
DHFR P00374 1/20 0.43
PTGS2 P35354 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL27701837 0.91 KMT2A (0.51) KMT2AMAPTRAB9AALDH1A1KDM4E
SCHEMBL2490813 0.89 PARP10 (0.59) KMT2AMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL923659 0.88 PARP10 (0.57) KMT2AMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL1546356 0.88 KMT2A (0.68) KMT2AMAPTRAB9AALDH1A1KDM4E
SCHEMBL8899186 0.83 MAPT (0.67) KMT2AMAPTALDH1A1SMN1; SMN2PARP10
SCHEMBL14675677 0.82 KMT2A (0.60) KMT2AMAPTRAB9AALDH1A1KDM4E
SCHEMBL7537569 0.81 MAPT (0.58) KMT2AMAPTRAB9AALDH1A1KDM4E
SCHEMBL4243129 0.79 KMT2A (0.63) KMT2AMAPTRAB9AALDH1A1KDM4E
SCHEMBL9400232 0.79 KMT2A (0.63) KMT2AMAPTRAB9AALDH1A1KDM4E
SCHEMBL17130025 0.79 PARP10 (0.58) KMT2AMAPTRAB9AALDH1A1KDM4E

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
CN-101160144-A Implantable medical articles having laminin coatings and methods of use SURMODICS INC (US) 2008-04-09 CN disclosed