SCHEMBL8208518

SCHEMBL8208518

CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCc4cc(OC(=O)c5ccccc5)ccc4[C@H]3CC[C@]2(C)[C@H]1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.72
LMNA P02545 5/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
KMT2A Q03164 3/20 0.72
ADORA3 P0DMS8 2/20 0.72
ATM Q13315 2/20 0.72
NR3C1 P04150 2/20 0.72
SHBG P04278 2/20 0.72
SLC6A4 P31645 2/20 0.72
FYN P06241 1/20 0.72
ADRA2C P18825 1/20 0.72
SLC6A2 P23975 1/20 0.72
HTR2B P41595 1/20 0.72
HTT P42858 1/20 0.72
CYP3A4 P08684 3/20 0.65
MAPT P10636 3/20 0.60
TP53 P04637 1/20 0.60
PGR P06401 2/20 0.59
AR P10275 2/20 0.59
SLC6A3 Q01959 2/20 0.59

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
SCHEMBL347436 0.93 ESR1 (0.67) ESR1LMNASMN1; SMN2KMT2AADORA3
SCHEMBL5711620 0.92 LMNA (0.68) ESR1LMNASMN1; SMN2KMT2AADORA3
SCHEMBL21540422 0.90 SMN1; SMN2 (0.72) ESR1LMNASMN1; SMN2KMT2AADORA3
SCHEMBL10960504 0.90 SMN1; SMN2 (0.72) ESR1LMNASMN1; SMN2KMT2AADORA3
SCHEMBL8208515 0.89 ESR1 (0.71) ESR1LMNASMN1; SMN2KMT2AADORA3
SCHEMBL8177995 0.88 ESR1 (0.78) ESR1LMNASMN1; SMN2KMT2AADORA3
SCHEMBL14360870 0.88 ESR1 (0.78) ESR1LMNASMN1; SMN2KMT2AADORA3
SCHEMBL8155723 0.86 MAPT (0.81) ESR1LMNASMN1; SMN2KMT2AADORA3
SCHEMBL7528824 0.85 MAPT (0.76) ESR1LMNASMN1; SMN2KMT2AADORA3
SCHEMBL7528821 0.85 MAPT (0.76) ESR1LMNASMN1; SMN2KMT2AADORA3

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-1016417-A1 PRESSURE-SENSITIVE ADHESIVES FOR PERCUTANEOUS PLASTERS AND PERCUTANEOUS PLASTERS HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2000-07-05 EP disclosed