SCHEMBL7060055

SCHEMBL7060055

CC(C)(C)[Si](C)(C)Oc1cccc2c1[C@H]1CC[C@]3(C)/C(=C/CBr)CC[C@H]3[C@@H]1CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 8/20 0.34
HSD17B1 P14061 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 4/20 0.33
ESR2 Q92731 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP19A1 P11511 2/20 0.33
AKR1B10 O60218 1/20 0.33
SHBG P04278 1/20 0.33
CYP1A2 P05177 1/20 0.33
PGR P06401 1/20 0.33
SERPINA6 P08185 1/20 0.33
AR P10275 1/20 0.33
AKR1B1 P15121 1/20 0.33
NFKB1 P19838 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL7132037 0.84 STS (0.49) STSHSD17B1LMNAMAPTRECQL
SCHEMBL7060058 0.81 STS (0.50) STSHSD17B1LMNAMAPTRECQL
SCHEMBL1656763 0.81 STS (0.50) STSHSD17B1LMNAMAPTRECQL
SCHEMBL6569494 0.75 ESR1 (0.40) STSLMNAESR1ESR2CYP3A4
SCHEMBL8409267 0.75 STS (0.51) STSHSD17B1LMNAMAPTRECQL
SCHEMBL1659350 0.73 STS (0.49) STSHSD17B1LMNAMAPTRECQL
SCHEMBL1236173 0.73 STS (0.49) STSHSD17B1LMNAMAPTRECQL
SCHEMBL5155997 0.73 SRD5A2 (0.39) STSLMNAMAPTRECQLSMN1; SMN2
SCHEMBL12888961 0.73 STS (0.49) STSHSD17B1LMNAMAPTRECQL
SCHEMBL1236171 0.73 STS (0.49) STSHSD17B1LMNAMAPTRECQL

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-1310509-A2 Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use Sri International (US) 2003-05-14 EP disclosed