SCHEMBL11784124

SCHEMBL11784124

C[C@@H]1CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)CCCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.67
AR P10275 6/20 0.67
ADORA3 P0DMS8 2/20 0.67
ADRA1A P35348 2/20 0.67
CHRM1 P11229 2/20 0.67
SLC6A2 P23975 1/20 0.67
SLC6A3 Q01959 1/20 0.67
KCNH2 Q12809 1/20 0.67
ABCB11 O95342 4/20 0.53
NR3C1 P04150 5/20 0.52
CYP3A4 P08684 7/20 0.49
HIF1A Q16665 5/20 0.49
LMNA P02545 3/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
NR1I2 O75469 3/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL11784119 1.00 PGR (0.67) PGRARADORA3ADRA1ACHRM1
SCHEMBL11784128 1.00 PGR (0.67) PGRARADORA3ADRA1ACHRM1
SCHEMBL11785717 0.95 PGR (0.66) PGRARADORA3ADRA1ACHRM1
SCHEMBL11785713 0.95 PGR (0.66) PGRARADORA3ADRA1ACHRM1
SCHEMBL11785707 0.95 PGR (0.66) PGRARADORA3ADRA1ACHRM1
Fluocortolone Caproate SCHEMBL2107766 0.92 PGR (0.74) PGRARADORA3ADRA1ACHRM1
SCHEMBL11210509 0.88 PGR (0.64) PGRARADORA3ADRA1ACHRM1
SCHEMBL11210514 0.88 PGR (0.64) PGRARADORA3ADRA1ACHRM1
SCHEMBL11338911 0.88 PGR (0.64) PGRARADORA3ADRA1ACHRM1
SCHEMBL9273155 0.88 PGR (0.71) PGRARADORA3ADRA1ACHRM1

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-3935245-A DIAGNOSTIC SCHERING AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed