SCHEMBL11793678

SCHEMBL11793678

C[C@H]1C[C@@]2(C)C(CC[C@@]2(O)CCC(=O)O)C2CCC3=CC(=O)CCC3C21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.61
▸ NR3C1 P04150 7/20 0.46
▸ CYP3A4 P08684 4/20 0.46
▸ ABCB11 O95342 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ SHBG P04278 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ AR P10275 5/20 0.43
▸ MAPT P10636 2/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42

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
SCHEMBL11794466 1.00 PGR (0.61) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL7854625 0.84 PGR (0.58) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL7859913 0.83 PGR (0.56) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL6012018 0.80 AR (0.52) PGRNR3C1SHBGARMEN1
SCHEMBL11424896 0.78 PGR (0.70) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL8425124 0.78 PGR (0.62) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL6842375 0.77 PGR (0.75) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL6140132 0.76 PGR (0.50) PGRNR3C1CYP3A4ABCB11LMNA
Norgestomet SCHEMBL140382 0.76 PGR (1.00) PGRNR3C1CYP3A4ABCB11LMNA
Norgestomet SCHEMBL11794624 0.76 PGR (1.00) PGRNR3C1CYP3A4ABCB11LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3941880-A Method for use of 11-lower alkyl steroids G. D. SEARLE & CO. (US) 1976-03-02 — — US claimed
US-3941880-A Method for use of 11-lower alkyl steroids G. D. SEARLE & CO. (US) 1976-03-02 — — US disclosed
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