SCHEMBL30140884

SCHEMBL30140884

CC12CCC3C4CCC(=O)C=C4C=CC3C1CCC2O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 6/20 0.59
▸ SERPINA6 P08185 3/20 0.59
▸ SLC22A1 O15245 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ THRB P10828 1/20 0.59
▸ AR P10275 9/20 0.56
▸ PGR P06401 5/20 0.55
▸ NR3C2 P08235 2/20 0.55
▸ CYP19A1 P11511 5/20 0.47
▸ LMNA P02545 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ NR3C1 P04150 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ SNCA P37840 2/20 0.47
▸ CACNA1C Q13936 2/20 0.47
▸ CYP51A1 Q16850 2/20 0.47
▸ GPBAR1 Q8TDU6 2/20 0.47
▸ SIGMAR1 Q99720 2/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL2832958 1.00 SHBG (0.59) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL7703808 1.00 SHBG (0.59) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL12638972 0.87 AR (0.56) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL13474816 0.86 AR (0.55) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL23383533 0.85 SERPINA6 (0.61) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL1650166 0.85 SERPINA6 (0.61) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL29335237 0.84 AR (0.53) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL29335494 0.83 AR (0.51) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL2833823 0.83 AR (0.51) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL4212652 0.83 AR (0.55) SHBGSERPINA6SLC22A1ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118995644-A Cytochrome P450BM3 mutant, vector, microorganism and application thereof 湖北大学 2024-11-22 — — CN claimed
CN-118995644-A Cytochrome P450BM3 mutant, vector, microorganism and application thereof 湖北大学 2024-11-22 — — CN disclosed
CN-115521352-B Preparation method of methyl dehydropregnenolone 湖南新合新生物医药有限公司 2024-05-14 — — CN disclosed
CN-117836596-A Temperature indicator manufacturing system and temperature indicator manufacturing method 株式会社日立产机系统 2024-04-05 — — CN disclosed
CN-111542736-B Temperature detecting material and estimation system for temperature deviation time using the same 株式会社日立产机系统 2023-08-29 — — CN disclosed
CN-115521352-A Preparation method of methyl dienolone 湖南新合新生物医药有限公司 2022-12-27 — — CN disclosed
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