SCHEMBL11515560

SCHEMBL11515560

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

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.86
LMNA P02545 5/20 0.86
SMN1; SMN2 Q16637 4/20 0.86
PGR P06401 4/20 0.86
CYP3A4 P08684 4/20 0.86
KMT2A Q03164 3/20 0.86
HIF1A Q16665 3/20 0.86
MEN1 O00255 2/20 0.86
ADORA3 P0DMS8 2/20 0.86
MAPT P10636 2/20 0.86
SLC6A3 Q01959 2/20 0.86
NPSR1 Q6W5P4 2/20 0.86
HPGD P15428 1/20 0.86
MLNR O43193 1/20 0.86
NR1I2 O75469 1/20 0.86
HTT P42858 1/20 0.86
PDE4D Q08499 1/20 0.86
PDE3A Q14432 1/20 0.86
AR P10275 2/20 0.67
SHBG P04278 4/20 0.61

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
SCHEMBL17519899 0.94 LMNA (0.96) NR3C1LMNASMN1; SMN2PGRCYP3A4
SCHEMBL11513688 0.94 LMNA (0.85) NR3C1LMNASMN1; SMN2PGRCYP3A4
Hydroxyprogesterone Caproate SCHEMBL94788 0.93 LMNA (1.00) NR3C1LMNASMN1; SMN2PGRCYP3A4
Hydroxyprogesterone Caproate SCHEMBL508890 0.93 LMNA (1.00) NR3C1LMNASMN1; SMN2PGRCYP3A4
Hydroxyprogesterone Caproate SCHEMBL14649335 0.93 LMNA (1.00) NR3C1LMNASMN1; SMN2PGRCYP3A4
Hydroxyprogesterone Caproate SCHEMBL17517045 0.93 LMNA (1.00) NR3C1LMNASMN1; SMN2PGRCYP3A4
Hydroxyprogesterone Caproate SCHEMBL16812894 0.93 LMNA (1.00) NR3C1LMNASMN1; SMN2PGRCYP3A4
Hydroxyprogesterone Caproate SCHEMBL5330 0.93 LMNA (1.00) NR3C1LMNASMN1; SMN2PGRCYP3A4
Hydroxyprogesterone Caproate SCHEMBL21497316 0.93 LMNA (1.00) NR3C1LMNASMN1; SMN2PGRCYP3A4
SCHEMBL571389 0.92 LMNA (0.77) NR3C1LMNASMN1; SMN2PGRCYP3A4

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
US-4177269-A ANTITUMOR AGENTS AKTIEBOLAGET LEO (SE) 1979-12-04 US disclosed