SCHEMBL10868441

SCHEMBL10868441

C#C[C@]1(O)C(=C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 8/20 0.70
▸ LMNA P02545 8/20 0.70
▸ NR3C1 P04150 5/20 0.70
▸ SMN1; SMN2 Q16637 5/20 0.70
▸ TSHR P16473 5/20 0.70
▸ PGR P06401 4/20 0.70
▸ CYP2C19 P33261 3/20 0.70
▸ AR P10275 3/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ HIF1A Q16665 2/20 0.70
▸ THRB P10828 1/20 0.70
▸ ESR1 P03372 1/20 0.70
▸ ALDH1A1 P00352 3/20 0.64
▸ ADRA1A P35348 1/20 0.64
▸ HTR2B P41595 1/20 0.64
▸ SERPINA6 P08185 7/20 0.59
▸ BLM P54132 4/20 0.59
▸ MAPT P10636 2/20 0.59
▸ ADORA3 P0DMS8 1/20 0.59

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
SCHEMBL10892430 1.00 SHBG (0.70) SHBGLMNANR3C1SMN1; SMN2TSHR
SCHEMBL9624053 0.89 SHBG (0.64) SHBGLMNANR3C1SMN1; SMN2TSHR
SCHEMBL9624055 0.89 SHBG (0.64) SHBGLMNANR3C1SMN1; SMN2TSHR
SCHEMBL9347593 0.85 SHBG (0.70) SHBGLMNANR3C1SMN1; SMN2TSHR
SCHEMBL10444758 0.85 NR3C1 (0.50) SHBGLMNANR3C1SMN1; SMN2TSHR
SCHEMBL15079251 0.85 NR3C1 (0.50) SHBGLMNANR3C1SMN1; SMN2TSHR
SCHEMBL16387349 0.84 HIF1A (0.61) SHBGLMNANR3C1SMN1; SMN2TSHR
SCHEMBL15079260 0.84 HIF1A (0.61) SHBGLMNANR3C1SMN1; SMN2TSHR
Ethisterone SCHEMBL16864523 0.82 LMNA (1.00) SHBGLMNANR3C1SMN1; SMN2TSHR
Ethisterone SCHEMBL16691330 0.82 LMNA (1.00) SHBGLMNANR3C1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4567001-A 16-Methylene-17α-hydroxy-progesterones THE UPJOHN COMPANY (US) 1986-01-28 — — US claimed
US-4588529-A Mercury removal process THE UPJOHN COMPANY (US) 1986-05-13 — — US disclosed
EP-0179496-A1 16-Sulfinylmethyl-steroids, their preparation and use THE UPJOHN COMPANY (US) 1986-04-30 — — EP disclosed
US-4567001-A 16-Methylene-17α-hydroxy-progesterones THE UPJOHN COMPANY (US) 1986-01-28 — — US disclosed
EP-0104054-A2 16-methylene-steroids and their preparation THE UPJOHN COMPANY (US) 1984-03-28 — — EP disclosed
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