SCHEMBL7854422

SCHEMBL7854422

C=C(CCC(=O)O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OC(C)=O)CC[C@@H]4[C@H]3[C@@H](C)C[C@@]21C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.48
▸ PDK1 Q15118 3/20 0.35
▸ PDK2 Q15119 3/20 0.35
▸ PDK3 Q15120 3/20 0.35
▸ PDK4 Q16654 3/20 0.35
▸ HIF1A Q16665 4/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NR3C1 P04150 3/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ AR P10275 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33

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
SCHEMBL7861152 1.00 PGR (0.48) PGRPDK1PDK2PDK3PDK4
SCHEMBL7854625 0.85 PGR (0.58) PGRHIF1ASMN1; SMN2NR3C1ADORA3
SCHEMBL7859913 0.80 PGR (0.56) PGRHIF1ASMN1; SMN2NR3C1ADORA3
SCHEMBL7861461 0.80 CYP2C19 (0.45) PGRHIF1ASMN1; SMN2NR3C1ADORA3
SCHEMBL7864440 0.78 PDK1 (0.44) PGRPDK1PDK2PDK3PDK4
SCHEMBL7864445 0.78 PDK1 (0.44) PGRPDK1PDK2PDK3PDK4
SCHEMBL7854433 0.76 PGR (0.49) PGRHIF1ASMN1; SMN2NR3C1ADORA3
SCHEMBL7860091 0.75 PGR (0.46) PGRHIF1ASMN1; SMN2NR3C1ADORA3
SCHEMBL7862390 0.74 PGR (0.45) PGRHIF1ASMN1; SMN2NR3C1ADORA3
SCHEMBL7861280 0.74 PGR (0.45) PGRHIF1ASMN1; SMN2NR3C1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709394-B1 Steroids with a 17-spiromethylene lactone or lactol group AKZO NOBEL NV (NL) 2001-01-31 — — EP disclosed
US-5741786-A PROGESTATIONAL ACTIVITY, USED AS CONTRACEPTIVES AKZO NOBEL N.V. (NL) 1998-04-21 — — US disclosed
EP-0709394-A2 Steroids with a 17-spiromethylene lactone or lactol group Akzo Nobel N.V. (NL) 1996-05-01 — — EP disclosed
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