SCHEMBL24102425

SCHEMBL24102425

C[C@@H]1CC2=CC(=O)CCC2C2C1C1CC[C@H](OC(=O)O)[C@@]1(C)C[C@@H]2C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.72
▸ PGR P06401 6/20 0.42
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 2/20 0.40
▸ NR3C2 P08235 2/20 0.38
▸ SHBG P04278 3/20 0.37
▸ SERPINA6 P08185 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ NR1I2 O75469 1/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL25863725 0.92 AR (0.72) ARPGRMAPTLMNANR3C2
SCHEMBL25863727 0.92 AR (0.72) ARPGRMAPTLMNANR3C2
SCHEMBL12355440 0.92 AR (0.72) ARPGRMAPTLMNANR3C2
SCHEMBL24102447 0.92 AR (0.72) ARPGRMAPTLMNANR3C2
SCHEMBL13125416 0.91 AR (0.70) ARPGRMAPTLMNANR3C2
SCHEMBL3452466 0.91 AR (0.70) ARPGRMAPTLMNANR3C2
SCHEMBL5030883 0.91 AR (0.70) ARPGRMAPTLMNANR3C2
SCHEMBL25863522 0.90 AR (0.78) ARPGRMAPTLMNANR3C2
SCHEMBL25863524 0.90 AR (0.78) ARPGRMAPTLMNANR3C2
SCHEMBL25863641 0.90 AR (0.84) ARPGRMAPTLMNANR3C2

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
Send feedback