SCHEMBL9416631

SCHEMBL9416631

COc1cc(CC(=O)N2CCc3cc(OCc4ccccc4)c(OC)cc3C2)ccc1OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.76
NPC1 O15118 1/20 0.76
ABCB1 P08183 1/20 0.61
ABCC1 P33527 1/20 0.61
CHRNA7 P36544 2/20 0.61
GPR183 P32249 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.57
HCRTR2 O43614 3/20 0.55
MEN1 O00255 2/20 0.53
REV1 Q9UBZ9 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
HCRTR1 O43613 1/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 1/20 0.52
THRB P10828 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL8436351 0.85 KMT2A (0.58) KMT2ANPC1ABCB1ABCC1CHRNA7
SCHEMBL8439752 0.85 KMT2A (0.58) KMT2ANPC1ABCB1ABCC1GPR183
SCHEMBL9668362 0.85 CHRNA7 (0.69) KMT2ANPC1CHRNA7GPR183HCRTR2
SCHEMBL9667825 0.85 CHRNA7 (0.69) KMT2ANPC1CHRNA7GPR183HCRTR2
SCHEMBL9416605 0.84 LMNA (0.75) KMT2ANPC1CHRNA7GPR183SMN1; SMN2
SCHEMBL5096699 0.83 KMT2A (0.86) KMT2ANPC1ABCB1ABCC1GPR183
SCHEMBL3056571 0.81 KDM4E (0.69) KMT2ANPC1ABCB1CHRNA7GPR183
SCHEMBL8437814 0.81 KMT2A (0.52) KMT2ANPC1ABCB1ABCC1GPR183
SCHEMBL8437426 0.81 KMT2A (0.52) KMT2ANPC1ABCB1ABCC1CHRNA7
SCHEMBL8791190 0.81 KMT2A (0.71) KMT2ANPC1ABCB1ABCC1GPR183

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