SCHEMBL27722844

SCHEMBL27722844

COc1cc(/C=C(\C(=O)O)c2ccc(OC(C)=O)cc2)cc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 2/20 0.57
NQO2 P16083 6/20 0.54
AKR1C3 P42330 2/20 0.53
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
TTR P02766 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.49
ELANE P08246 1/20 0.46
HSD17B10 Q99714 1/20 0.45
PTGS1 P23219 2/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44

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
SCHEMBL27838696 0.90 MEN1 (0.64) MEN1KMT2AALDH1A1NQO2AKR1C3
SCHEMBL4252807 0.86 MEN1 (0.62) MEN1KMT2AALDH1A1NQO2AKR1C3
SCHEMBL4252802 0.86 MEN1 (0.62) MEN1KMT2AALDH1A1NQO2AKR1C3
SCHEMBL3793636 0.84 MEN1 (0.61) MEN1KMT2AALDH1A1NQO2AKR1C3
SCHEMBL3802163 0.84 MEN1 (0.61) MEN1KMT2AALDH1A1NQO2AKR1C3
SCHEMBL3793631 0.84 MEN1 (0.61) MEN1KMT2AALDH1A1NQO2AKR1C3
SCHEMBL4659518 0.83 MEN1 (0.59) MEN1KMT2AALDH1A1NQO2AKR1C3
SCHEMBL4659524 0.83 MEN1 (0.59) MEN1KMT2AALDH1A1NQO2AKR1C3
SCHEMBL1439492 0.83 MEN1 (0.59) MEN1KMT2AALDH1A1NQO2AKR1C3
SCHEMBL1439488 0.83 MEN1 (0.59) MEN1KMT2AALDH1A1NQO2AKR1C3

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-100384801-C (E)-3,5-dimethox-4'-hydroxy diphenyl ethylene synthesis method GUANGZHOU INST OF CHEMISTRY (CN) 2008-04-30 CN disclosed