SCHEMBL24103306

SCHEMBL24103306

C[C@H]1CC2=CC(=O)CCC2C2CC[C@@]3(C)C(CC[C@@H]3OC(N)=O)C21

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.69
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
PGR P06401 6/20 0.49
NR3C2 P08235 2/20 0.49
SERPINA6 P08185 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SHBG P04278 2/20 0.47
SLC22A1 O15245 1/20 0.47
THRB P10828 1/20 0.47
MCL1 Q07820 1/20 0.46
CYP1A2 P05177 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
STS P08842 2/20 0.42
CYP19A1 P11511 1/20 0.41

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
SCHEMBL24103152 1.00 AR (0.69) ARMAPTLMNAPGRNR3C2
Trestolone Acetate SCHEMBL2787569 0.91 AR (0.70) ARMAPTLMNAPGRNR3C2
Trestolone Acetate SCHEMBL17302787 0.91 AR (0.70) ARMAPTLMNAPGRNR3C2
Trestolone Acetate SCHEMBL17302814 0.91 AR (0.70) ARMAPTLMNAPGRNR3C2
Trestolone Acetate SCHEMBL12101463 0.91 AR (0.70) ARMAPTLMNAPGRNR3C2
Trestolone Acetate SCHEMBL25863451 0.91 AR (0.70) ARMAPTLMNAPGRNR3C2
Trestolone Acetate SCHEMBL7779251 0.91 AR (0.70) ARMAPTLMNAPGRNR3C2
SCHEMBL24102452 0.91 AR (0.70) ARMAPTLMNAPGRNR3C2
Trestolone Acetate SCHEMBL17302820 0.91 AR (0.70) ARMAPTLMNAPGRNR3C2
SCHEMBL24102620 0.90 AR (0.69) ARMAPTLMNAPGRNR3C2

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
WO-2021252761-A2 MONOMERIC AND OLIGOMERIC COMPOUND EMBODIMENTS AS CONTRACEPTIVES AND THERAPIES AND METHODS OF MAKING AND USING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-12-16 WO disclosed