SCHEMBL8043801

SCHEMBL8043801

COC(=O)OC1=CC23CC[C@@]1(C1(C)OCCO1)[C@@]2(C)CC[C@@H]1c2ccc(OC)cc2CC[C@H]13

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
HSD17B1 P14061 2/20 0.43
RECQL P46063 2/20 0.43
ESR1 P03372 4/20 0.43
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 3/20 0.39
PGR P06401 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
NR3C1 P04150 1/20 0.39
CNR1 P21554 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL8096546 0.87 LMNA (0.44) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8103468 0.83 LMNA (0.45) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8043790 0.83 ESR1 (0.44) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8056159 0.81 LMNA (0.42) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8043782 0.76 ESR1 (0.46) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8056868 0.76 LMNA (0.45) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8059625 0.75 LMNA (0.48) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8061512 0.75 LMNA (0.47) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8105903 0.74 LMNA (0.44) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8772099 0.74 LMNA (0.42) LMNASMN1; SMN2MAPTHSD17B1RECQL

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-0799238-B1 14ALPHA,17ALPHA-C2-BRIDGED 19-NOR-PROGESTERONE DERIVATIVES SCHERING AG (DE) 2000-05-24 EP disclosed