SCHEMBL7703001

SCHEMBL7703001

C[C@@]12CCCC1C1CCc3ccccc3C1CC2.C[C@@]12CCC[C@H]1[C@@H]1[C@H](S)Cc3ccccc3[C@H]1CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.56
STS P08842 7/20 0.48
AKR1C3 P42330 3/20 0.44
HSD17B1 P14061 4/20 0.38
CYP1B1 Q16678 1/20 0.36
ESR1 P03372 2/20 0.35
AKR1B10 O60218 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
PGR P06401 1/20 0.35
SERPINA6 P08185 1/20 0.35
CYP3A4 P08684 1/20 0.35
AR P10275 1/20 0.35
MAPT P10636 1/20 0.35
CYP19A1 P11511 1/20 0.35
AKR1B1 P15121 1/20 0.35
NFKB1 P19838 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35
SNCA P37840 1/20 0.35

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
SCHEMBL11096655 0.87 SHBG (0.70) SHBGSTSAKR1C3HSD17B1CYP1B1
SCHEMBL975788 0.87 SHBG (0.70) SHBGSTSAKR1C3HSD17B1CYP1B1
SCHEMBL13725675 0.87 SHBG (0.70) SHBGSTSAKR1C3HSD17B1CYP1B1
SCHEMBL29446097 0.87 SHBG (0.70) SHBGSTSAKR1C3HSD17B1CYP1B1
SCHEMBL30887214 0.87 SHBG (0.70) SHBGSTSAKR1C3HSD17B1CYP1B1
SCHEMBL1258796 0.84 SHBG (0.64) SHBGSTSAKR1C3HSD17B1CYP1B1
Sulfamate SCHEMBL2451788 0.79 STS (0.65) SHBGSTSAKR1C3HSD17B1ESR1
SCHEMBL7043293 0.76 STS (0.59) SHBGSTSAKR1C3HSD17B1
SCHEMBL27561747 0.76 SHBG (0.43) SHBGSTSAKR1C3HTR2B
SCHEMBL27561749 0.76 SHBG (0.43) SHBGSTSAKR1C3HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355630-B1 ANTIESTROGENS, HORMONE REPLACEMENTS AND OSTEOPOROSIS AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 US disclosed
US-6355630-B1 ANTIESTROGENS, HORMONE REPLACEMENTS AND OSTEOPOROSIS AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 US disclosed
EP-1025116-A1 ESTRA-1,3,5(10)-TRIENE-7ALPHA-THIOETHERS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-09 EP disclosed
EP-1025116-A1 ESTRA-1,3,5(10)-TRIENE-7ALPHA-THIOETHERS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-09 EP disclosed
WO-1999020646-A1 ESTRA-1,3,5(10)-TRIENE-7ALPHA-THIOETHERS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-04-29 WO disclosed