SCHEMBL8769820

SCHEMBL8769820

CCOC1=CC2=CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3[C@H](C)C[C@]4(OC(C)=O)C(C)=O)[C@H]2CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.39
NR3C1 P04150 5/20 0.37
AR P10275 5/20 0.37
PDE4D Q08499 1/20 0.37
CYP3A4 P08684 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 3/20 0.36
ABCB11 O95342 3/20 0.36
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
ALDH1A1 P00352 2/20 0.36
USP2 O75604 2/20 0.36
ABCC4 O15439 1/20 0.36
ESR1 P03372 1/20 0.36
SHBG P04278 1/20 0.36
NR3C2 P08235 1/20 0.36
HRH2 P25021 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL8769791 0.82 SRD5A2 (0.37) PGRNR3C1ARPDE4DCYP3A4
SCHEMBL8769472 0.82 PGR (0.39) PGRNR3C1ARPDE4DCYP3A4
SCHEMBL11324726 0.80 PGR (0.58) PGRNR3C1ARPDE4DCYP3A4
SCHEMBL10953556 0.75 PGR (0.53) PGRNR3C1ARPDE4DCYP3A4
SCHEMBL8769149 0.75 PGR (0.63) PGRNR3C1ARPDE4DCYP3A4
SCHEMBL2342637 0.73 SRD5A2 (0.36) PGRNR3C1PDE4DSRD5A2ADORA3
SCHEMBL8769005 0.72 PGR (0.51) PGRNR3C1ARPDE4DCYP3A4
SCHEMBL8769769 0.72 PGR (0.51) PGRNR3C1ARPDE4DCYP3A4
SCHEMBL2334303 0.71 SRD5A2 (0.38) CYP3A4SRD5A2CYP2C19CYP2C9
SCHEMBL2318525 0.71 SRD5A2 (0.38) CYP3A4SRD5A2CYP2C19CYP2C9

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
EP-0785211-A1 New substituted 19-nor-pregnane derivatives LABORATOIRE THERAMEX (MC) 1997-07-23 EP disclosed