SCHEMBL8409463

SCHEMBL8409463

CC(C)(C)[Si](C)(C)Oc1c(C=O)c(O)cc2c1[C@H]1CC[C@]3(C)CCC[C@H]3[C@@H]1CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.45
STS P08842 5/20 0.44
ESR1 P03372 4/20 0.38
ESR2 Q92731 2/20 0.38
HSD17B1 P14061 6/20 0.37
CYP19A1 P11511 5/20 0.37
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
G6PD P11413 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
DAB2IP Q5VWQ8 1/20 0.34
ADCY10 Q96PN6 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL8409776 0.87 STS (0.40) SHBGSTSESR1ESR2HSD17B1
SCHEMBL8088835 0.82 SHBG (0.54) SHBGSTSESR1ESR2HSD17B1
SCHEMBL5159055 0.79 SHBG (0.54) SHBGSTSESR1ESR2HSD17B1
SCHEMBL8571107 0.73 SHBG (0.60) SHBGSTSESR1ESR2HSD17B1
SCHEMBL31185604 0.71 STS (0.65) SHBGSTSESR1HSD17B1KDM4E
SCHEMBL3972911 0.70 CYP19A1 (0.69) SHBGSTSESR1ESR2HSD17B1
SCHEMBL6866101 0.70 STS (0.49) SHBGSTSESR1HSD17B1CYP19A1
SCHEMBL10439848 0.69 SHBG (0.65) SHBGSTSESR1ESR2HSD17B1
SCHEMBL17824220 0.69 SHBG (0.53) SHBGSTSESR1HSD17B1KDM4E
SCHEMBL6869789 0.69 STS (0.64) SHBGSTSCA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5861388-A TREATMENT OF ESTROGEN DEPENDENT DISORDERS AS FOR EXAMPLEBREAST CANCER SRI INTERNATIONAL (US) 1999-01-19 US disclosed
WO-1998032763-A1 STEROID INHIBITORS OF ESTRONE SULFATASE, AND ASSOCIATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SRI INTERNATIONAL (US) 1998-07-30 WO disclosed
US-5763432-A TREATMENT OF ESTROGEN-DEPENDENT DISORDERS SRI INTERNATIONAL (US) 1998-06-09 US disclosed