SCHEMBL9416614

SCHEMBL9416614

COc1cc(CNCc2ccc(OC)c(OCc3ccccc3)c2)ccc1OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.73
SMN1; SMN2 Q16637 3/20 0.70
KMT2A Q03164 3/20 0.70
BCHE P06276 2/20 0.70
KDM4E B2RXH2 2/20 0.70
HTT P42858 2/20 0.70
NPY1R P25929 1/20 0.70
NPY2R P49146 1/20 0.70
ALDH1A1 P00352 2/20 0.69
MEN1 O00255 2/20 0.64
ATM Q13315 1/20 0.64
HTR1A P08908 1/20 0.62
HTR7 P34969 1/20 0.62
HTR6 P50406 1/20 0.62
SLC2A1 P11166 1/20 0.61
MRGPRX1 Q96LB2 2/20 0.61
F2 P00734 1/20 0.61
F10 P00742 1/20 0.61
PRSS1 P07477 1/20 0.61
F7 P08709 1/20 0.61

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
SCHEMBL3051565 0.95 LMNA (0.74) LMNASMN1; SMN2KMT2ABCHEKDM4E
SCHEMBL13973184 0.90 BCHE (0.69) LMNASMN1; SMN2KMT2ABCHEKDM4E
Hydrochloric Acid SCHEMBL4949263 0.90 BCHE (0.77) LMNASMN1; SMN2KMT2ABCHEKDM4E
SCHEMBL5114841 0.89 LMNA (0.67) LMNASMN1; SMN2KMT2ABCHEKDM4E
SCHEMBL3042373 0.88 LMNA (0.69) LMNASMN1; SMN2KMT2ABCHEKDM4E
SCHEMBL5525095 0.87 BCHE (0.64) LMNASMN1; SMN2KMT2ABCHEKDM4E
SCHEMBL31192440 0.86 BCHE (0.65) LMNASMN1; SMN2KMT2ABCHEKDM4E
SCHEMBL31192444 0.85 BCHE (0.63) LMNASMN1; SMN2KMT2ABCHEKDM4E
SCHEMBL28312735 0.85 LMNA (0.63) LMNASMN1; SMN2KMT2ABCHEKDM4E
SCHEMBL4812481 0.85 LMNA (0.63) LMNASMN1; SMN2KMT2ABCHEKDM4E

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-0613879-A1 PHELLODENDRINE ANALOGS AND ALLERGY TYPE IV SUPPRESSOR CONTAINING THE SAME AS ACTIVE INGREDIENT TSUMURA & CO. (JP) 1994-09-07 EP disclosed