SCHEMBL7992332

SCHEMBL7992332

CC(=O)OC1=CC[C@@]2(C)C(CC[C@H]3[C@@H]4CCC[C@@]4(C(=O)O)CC[C@@H]32)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.41
GRIN1 Q05586 4/20 0.37
GRIN2B Q13224 4/20 0.37
AKR1B10 O60218 3/20 0.36
AKR1B1 P15121 3/20 0.36
GPBAR1 Q8TDU6 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP19A1 P11511 4/20 0.35
NR1I3 Q14994 1/20 0.34
OR51E2 Q9H255 1/20 0.34
NR3C1 P04150 1/20 0.33
SHBG P04278 1/20 0.33
PGR P06401 1/20 0.33
SERPINA6 P08185 1/20 0.33
NR3C2 P08235 1/20 0.33
CYP3A4 P08684 1/20 0.33
AR P10275 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
SCHEMBL6432078 0.87 NR1I3 (0.47) SRD5A2GRIN1GRIN2BAKR1B10AKR1B1
SCHEMBL17065133 0.80 AKR1B10 (0.58) SRD5A2GRIN1GRIN2BAKR1B10AKR1B1
SCHEMBL8964927 0.79 CYP19A1 (0.49) SRD5A2AKR1B10AKR1B1GPBAR1ALDH1A1
SCHEMBL8964931 0.79 CYP19A1 (0.49) SRD5A2AKR1B10AKR1B1GPBAR1ALDH1A1
SCHEMBL3361092 0.79 SRD5A2 (0.40) SRD5A2AKR1B10AKR1B1GPBAR1ALDH1A1
SCHEMBL9706991 0.78 CYP17A1 (0.46) SRD5A2AKR1B10AKR1B1GPBAR1ALDH1A1
SCHEMBL5004417 0.72 CYP19A1 (0.52) GRIN1GRIN2BAKR1B10AKR1B1GPBAR1
SCHEMBL4292109 0.71 OSBP (0.52) SRD5A2
SCHEMBL9293470 0.69 GRIN1 (0.50) SRD5A2GRIN1GRIN2BNR1I3MEN1
SCHEMBL9822483 0.69 SRD5A2 (0.74) SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6274118-B1 INJECTING PATIENT HAVING ENDOCRINE CANCER IN NON-PROSTATIC TISSUE WITH BIOLOGICAL BINDING UNITS WHICH BIND TO PROSTATE SPECIFIC ANTIGEN PRODUCED BY NON-PROSTATIC TISSUE NORDION INTERNATIONAL INC. (CA) 2001-08-14 US disclosed
WO-1995002424-A1 LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN NORDION INTERNATIONAL INC. (CA) 1995-01-26 WO disclosed