SCHEMBL7029928

SCHEMBL7029928

CC(C)(C)OC(=O)N1CCC[C@H]1CSCCCC(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ATM Q13315 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE8B O95263 1/20 0.35
OPRD1 P41143 1/20 0.35
APP P05067 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A2 P23975 1/20 0.34
HRH2 P25021 1/20 0.34

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
SCHEMBL16551796 0.90 ATM (0.40) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL16538597 0.90 ATM (0.40) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL16538787 0.90 ATM (0.40) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL16538727 0.90 ATM (0.40) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL16551798 0.85 ATM (0.40) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL16551813 0.85 ATM (0.40) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL9972616 0.82 ATM (0.40) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL9972609 0.82 ATM (0.40) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL16538557 0.81 ATM (0.41) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL16538901 0.81 ATM (0.41) ALDH1A1MEN1KMT2AL3MBTL1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920441-B1 7ALPHA-(EPSILON-AMINOALKYL)-ESTRATRIENES, PROCESS FOR PREPARING THE SAME, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 7ALPHA-(EPSILON-AMINOALKYL)-ESTRATRIENES AND THEIR USE FOR PREPARING MEDICAMENT SCHERING AG (DE) 2003-01-29 EP disclosed
US-6271403-B1 PURE ANTIESTROGENS, OR ESTROGENIC ANTIESTROGENS WITH ESTROGENIC PARTIAL ACTION. SCHERING AKTIENGESELLSCHAFT (DE) 2001-08-07 US disclosed
US-5986115-A STEROIDS WITH FLUORO GROUPS AND ETHER OR ESTER GROUPS SCHERING AG (DE) 1999-11-16 US disclosed
US-5866560-A ESTROGEN INHIBITORS; TUMOR THERAPY; HORMONE REPLACEMENT THERAPY SCHERING AG (DE) 1999-02-02 US disclosed