SCHEMBL11138065

SCHEMBL11138065

C#C[C@]1(OC(C)=O)CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@H]1CCC(=O)C=C1C[C@H]3C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 11/20 0.75
▸ AR P10275 10/20 0.75
▸ ABCB11 O95342 4/20 0.75
▸ CYP3A4 P08684 4/20 0.75
▸ CYP2C19 P33261 3/20 0.75
▸ ADORA3 P0DMS8 3/20 0.75
▸ SLC6A2 P23975 3/20 0.75
▸ NR3C1 P04150 3/20 0.75
▸ MAPT P10636 2/20 0.75
▸ CHRM1 P11229 2/20 0.75
▸ ADRA1A P35348 2/20 0.75
▸ MAPK1 P28482 2/20 0.75
▸ CHRM2 P08172 1/20 0.75
▸ TBXA2R P21731 1/20 0.75
▸ MEN1 O00255 1/20 0.75
▸ KMT2A Q03164 1/20 0.75
▸ NR3C2 P08235 4/20 0.60
▸ LMNA P02545 3/20 0.54
▸ ESR1 P03372 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54

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
SCHEMBL24476220 0.86 AR (0.56) PGRARABCB11CYP3A4CYP2C19
SCHEMBL24476217 0.86 AR (0.56) PGRARABCB11CYP3A4CYP2C19
SCHEMBL5925242 0.85 AR (0.58) PGRARABCB11CYP3A4CYP2C19
SCHEMBL6245593 0.85 AR (0.58) PGRARABCB11CYP3A4CYP2C19
Norethindrone Acetate SCHEMBL14360522 0.85 CYP3A4 (1.00) PGRARABCB11CYP3A4CYP2C19
Norethindrone Acetate SCHEMBL11321479 0.85 CYP3A4 (1.00) PGRARABCB11CYP3A4CYP2C19
Norethindrone Acetate SCHEMBL14577826 0.85 CYP3A4 (1.00) PGRARABCB11CYP3A4CYP2C19
Norethindrone Acetate SCHEMBL37530 0.85 CYP3A4 (1.00) PGRARABCB11CYP3A4CYP2C19
Norethindrone Acetate SCHEMBL1232662 0.85 CYP3A4 (1.00) PGRARABCB11CYP3A4CYP2C19
Norethindrone Acetate SCHEMBL14074495 0.85 CYP3A4 (1.00) PGRARABCB11CYP3A4CYP2C19

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-4412993-A 7-A-METHYLTESTOSTERONES THE UPJOHN COMPANY (US) 1983-11-01 — — US disclosed
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