SCHEMBL24102452

SCHEMBL24102452

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.70
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
PGR P06401 6/20 0.50
NR3C2 P08235 2/20 0.50
SHBG P04278 3/20 0.47
SERPINA6 P08185 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SLC22A1 O15245 1/20 0.47
THRB P10828 1/20 0.47
MCL1 Q07820 1/20 0.47
CYP1A2 P05177 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP19A1 P11511 1/20 0.42
CYP3A4 P08684 2/20 0.41
NR1I2 O75469 1/20 0.41
NR3C1 P04150 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP2C9 P11712 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
Trestolone Acetate SCHEMBL17302787 0.92 AR (0.70) ARMAPTLMNAPGRNR3C2
Trestolone Acetate SCHEMBL17302820 0.92 AR (0.70) ARMAPTLMNAPGRNR3C2
Trestolone Acetate SCHEMBL2787569 0.92 AR (0.70) ARMAPTLMNAPGRNR3C2
Trestolone Acetate SCHEMBL25863451 0.92 AR (0.70) ARMAPTLMNAPGRNR3C2
Trestolone Acetate SCHEMBL12101463 0.92 AR (0.70) ARMAPTLMNAPGRNR3C2
Trestolone Acetate SCHEMBL17302814 0.92 AR (0.70) ARMAPTLMNAPGRNR3C2
Trestolone Acetate SCHEMBL7779251 0.92 AR (0.70) ARMAPTLMNAPGRNR3C2
SCHEMBL24103306 0.91 AR (0.69) ARMAPTLMNAPGRNR3C2
SCHEMBL24102620 0.91 AR (0.69) ARMAPTLMNAPGRNR3C2
SCHEMBL24103152 0.91 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