SCHEMBL7063532

SCHEMBL7063532

CC(=O)[C@H]1CC[C@H]2[C@@H]3CCc4ccccc4[C@H]3CC[C@]12C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.53
SRD5A2 P31213 3/20 0.53
ESR2 Q92731 3/20 0.53
LMNA P02545 5/20 0.53
CYP3A4 P08684 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
RECQL P46063 2/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
BRCA1 P38398 1/20 0.53
SRD5A1 P18405 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
PGR P06401 2/20 0.52
AR P10275 2/20 0.52
SLC6A3 Q01959 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
ATM Q13315 2/20 0.52
CHRM1 P11229 1/20 0.52
TBXA2R P21731 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
SCHEMBL3139258 0.86 LMNA (0.71) ESR1ESR2LMNACYP3A4KMT2A
SCHEMBL12793146 0.86 LMNA (0.71) ESR1ESR2LMNACYP3A4KMT2A
SCHEMBL8432942 0.86 LMNA (0.71) ESR1ESR2LMNACYP3A4KMT2A
SCHEMBL7517855 0.84 SRD5A2 (0.74) ESR1SRD5A2ESR2SRD5A1
SCHEMBL9235891 0.83 SRD5A2 (0.76) ESR1SRD5A2ESR2LMNACYP3A4
SCHEMBL15417788 0.82 ESR1 (0.51) ESR1SRD5A2ESR2LMNACYP3A4
SCHEMBL8011297 0.82 LMNA (0.77) ESR1LMNACYP3A4KMT2AMEN1
SCHEMBL2285480 0.82 ESR1 (0.73) ESR1ESR2LMNACYP3A4KMT2A
SCHEMBL13909281 0.82 ESR1 (0.73) ESR1ESR2LMNACYP3A4KMT2A
SCHEMBL21388244 0.82 ESR1 (0.73) ESR1ESR2LMNACYP3A4KMT2A

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
WO-2003039554-A1 ENANTIOMERS OF STEROIDS FOR THE ENHANCEMENT OF MEMORY AND COGNITIVE FUNCTION BAULIEU ETIENNE-EMILE (FR) 2003-05-15 WO disclosed