SCHEMBL7028398

SCHEMBL7028398

CC(=O)OCCCCC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@H]12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
MAPT P10636 2/20 0.53
AR P10275 6/20 0.48
SERPINA6 P08185 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SLC22A1 O15245 1/20 0.42
SHBG P04278 1/20 0.42
THRB P10828 1/20 0.42
PGR P06401 5/20 0.41
NR3C2 P08235 2/20 0.41
MCL1 Q07820 1/20 0.41
CYP1A2 P05177 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP19A1 P11511 3/20 0.39
ESR1 P03372 1/20 0.39
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL8892914 1.00 LMNA (0.53) LMNAMAPTARSERPINA6ALDH1A1
SCHEMBL6904362 1.00 LMNA (0.53) LMNAMAPTARSERPINA6ALDH1A1
SCHEMBL8377744 0.91 LMNA (0.54) LMNAMAPTARSERPINA6ALDH1A1
SCHEMBL12672221 0.91 LMNA (0.54) LMNAMAPTARSERPINA6ALDH1A1
SCHEMBL13178781 0.91 LMNA (0.54) LMNAMAPTARSERPINA6ALDH1A1
SCHEMBL12639003 0.91 MAPT (0.63) LMNAMAPTARSERPINA6ALDH1A1
SCHEMBL7032081 0.91 LMNA (0.54) LMNAMAPTARSERPINA6ALDH1A1
SCHEMBL13139939 0.91 MAPT (0.63) LMNAMAPTARSERPINA6ALDH1A1
SCHEMBL24711298 0.91 LMNA (0.53) LMNAMAPTARSERPINA6ALDH1A1
SCHEMBL13139922 0.91 LMNA (0.56) LMNAMAPTARSERPINA6ALDH1A1

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 6 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
EP-0906332-B1 7ALPHA-(5-METHYLAMINOPENTYL)-ESTRATRIENES, PROCESS FOR THE PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS WHICH CONTAIN SAID 7ALPHA-(5-METHYLAMINOPENTYL)-ESTRATRIENES AND USE THEREOF FOR PRODUCTION OF DRUGS SCHERING AG (DE) 2001-11-28 EP disclosed
US-6288051-B1 ESTROGEN-DEPENDENT BREAST CANCER TREATMENT SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-11 US 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