SCHEMBL7591558

SCHEMBL7591558

COC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.81
ESR1 P03372 5/20 0.81
SMN1; SMN2 Q16637 4/20 0.81
ADORA3 P0DMS8 2/20 0.81
ATM Q13315 2/20 0.81
PGR P06401 2/20 0.81
AR P10275 2/20 0.81
SLC6A3 Q01959 2/20 0.81
CHRM1 P11229 1/20 0.81
TBXA2R P21731 1/20 0.81
ADRA1A P35348 1/20 0.81
OPRM1 P35372 1/20 0.81
HSD17B10 Q99714 5/20 0.77
NR3C1 P04150 2/20 0.74
SHBG P04278 2/20 0.74
SLC6A4 P31645 2/20 0.74
HTR2B P41595 2/20 0.74
KMT2A Q03164 2/20 0.74
FYN P06241 1/20 0.74
ADRA2C P18825 1/20 0.74

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
SCHEMBL28792822 0.95 LMNA (0.86) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Acetate SCHEMBL13712636 0.90 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Acetate SCHEMBL10201260 0.90 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Acetate SCHEMBL148561 0.90 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL28792824 0.90 ESR1 (0.88) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Acetate SCHEMBL29575955 0.90 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Acetate SCHEMBL2099105 0.90 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Acetate SCHEMBL20874461 0.90 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL25631644 0.89 LMNA (0.74) LMNAESR1SMN1; SMN2ADORA3ATM
SCHEMBL14257109 0.89 LMNA (0.83) LMNAESR1SMN1; SMN2ADORA3ATM

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-0640216-B1 SEPARATION METHOD MARCONI OPTICAL COMPONENTS LTD (GB) 2002-10-02 EP disclosed