SCHEMBL2045144

SCHEMBL2045144

COc1ccc(OCC(C)OCC(C)OCC(C)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
CYP2C9 P11712 2/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 3/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRB3 P13945 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ADRB2 P07550 1/20 0.40

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
SCHEMBL2049440 0.98 LMNA (0.52) LMNACYP2C9TSHRPOLBKDM4E
SCHEMBL1496625 0.85 LMNA (0.67) LMNACYP2C9TSHRPOLBKDM4E
SCHEMBL970564 0.84 LMNA (0.72) LMNAKDM4EKMT2AALDH1A1MEN1
SCHEMBL1001111 0.84 LMNA (0.72) LMNAKDM4EKMT2AALDH1A1MEN1
SCHEMBL872625 0.82 LMNA (0.75) LMNAKDM4EKMT2AALDH1A1MEN1
SCHEMBL8083747 0.82 LMNA (0.46) LMNAKMT2AADRB3TDP1ADRB2
SCHEMBL8081876 0.82 LMNA (0.46) LMNAKMT2AADRB3TDP1ADRB2
SCHEMBL2046633 0.82 MAPT (0.47) LMNATSHRKDM4EKMT2AALDH1A1
SCHEMBL8081870 0.81 LMNA (0.49) LMNATSHRKMT2AALDH1A1MAPT
SCHEMBL8083744 0.81 LMNA (0.49) LMNATSHRKMT2AALDH1A1MAPT

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
EP-2330464-A1 PROCESS FOR PRODUCING LITHOGRAPHIC PRINTING PLATE FUJIFILM Corporation (JP) 2011-06-08 EP disclosed