SCHEMBL7993191

SCHEMBL7993191

CCCCCCO[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.76
NR3C1 P04150 4/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
PGR P06401 3/20 0.76
HIF1A Q16665 3/20 0.76
ADORA3 P0DMS8 2/20 0.76
MAPT P10636 2/20 0.76
SLC6A3 Q01959 2/20 0.76
CYP3A4 P08684 2/20 0.76
HPGD P15428 1/20 0.76
MLNR O43193 1/20 0.76
NR1I2 O75469 1/20 0.76
HTT P42858 1/20 0.76
PDE4D Q08499 1/20 0.76
PDE3A Q14432 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
AR P10275 2/20 0.61
SHBG P04278 4/20 0.60

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
SCHEMBL15756108 0.90 AR (0.73) LMNANR3C1SMN1; SMN2MEN1KMT2A
SCHEMBL3940460 0.89 LMNA (0.73) LMNANR3C1SMN1; SMN2MEN1KMT2A
SCHEMBL4971448 0.89 LMNA (0.73) LMNANR3C1SMN1; SMN2MEN1KMT2A
SCHEMBL14656870 0.87 LMNA (0.98) LMNANR3C1SMN1; SMN2MEN1KMT2A
SCHEMBL5425550 0.87 LMNA (0.98) LMNANR3C1SMN1; SMN2MEN1KMT2A
SCHEMBL353516 0.87 LMNA (0.98) LMNANR3C1SMN1; SMN2MEN1KMT2A
Hydroxyprogesterone Caproate SCHEMBL94788 0.86 LMNA (1.00) LMNANR3C1SMN1; SMN2MEN1KMT2A
Hydroxyprogesterone Caproate SCHEMBL508890 0.86 LMNA (1.00) LMNANR3C1SMN1; SMN2MEN1KMT2A
Hydroxyprogesterone Caproate SCHEMBL17517045 0.86 LMNA (1.00) LMNANR3C1SMN1; SMN2MEN1KMT2A
Hydroxyprogesterone Caproate SCHEMBL5330 0.86 LMNA (1.00) LMNANR3C1SMN1; SMN2MEN1KMT2A

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