SCHEMBL10945226

SCHEMBL10945226

C=C1C(=C)[C@@H]2[C@H](C=C[C@@]3(C)[C@H]2CC[C@]3(O)CCC(=O)O)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ PGR P06401 2/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ AR P10275 2/20 0.35
▸ CYP19A1 P11511 5/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ SHBG P04278 1/20 0.33
▸ SERPINA6 P08185 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 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
Potassium Ion SCHEMBL10941848 0.91 TDP1 (0.51) TDP1LMNAPGRNR3C1PDE4D
SCHEMBL6707126 0.83 LMNA (0.50) TDP1LMNAPGRNR3C1PDE4D
SCHEMBL10885823 0.83 CYP19A1 (0.35) TDP1LMNAPGRNR3C1PDE4D
SCHEMBL6707070 0.79 PGR (0.57) TDP1LMNAPGRNR3C1PDE4D
SCHEMBL6707066 0.79 PGR (0.57) TDP1LMNAPGRNR3C1PDE4D
SCHEMBL10883611 0.77 SHBG (0.46) LMNAPGRNR3C1MEN1KMT2A
SCHEMBL10946076 0.77 SHBG (0.46) LMNAPGRNR3C1MEN1KMT2A
SCHEMBL10883431 0.75 PGR (0.42) TDP1LMNAPGRNR3C1PDE4D
SCHEMBL10886110 0.74 TDP1 (0.40) TDP1LMNAPGRNR3C1PDE4D
SCHEMBL10886114 0.74 TDP1 (0.40) TDP1LMNAPGRNR3C1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4502989-A HYPOTENSIVE, ANTIEDEMIC SHIONOGI & CO., LTD. (JP) 1985-03-05 — — US claimed
EP-0115273-A2 Aldosterone-antagonistic steroids SHIONOGI & CO., LTD. (JP) 1984-08-08 — — EP claimed
US-4502989-A HYPOTENSIVE, ANTIEDEMIC SHIONOGI & CO., LTD. (JP) 1985-03-05 — — US disclosed
EP-0115273-A2 Aldosterone-antagonistic steroids SHIONOGI & CO., LTD. (JP) 1984-08-08 — — EP disclosed
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