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Tetrahydrocortisone

Tetrahydrocortisone

SCHEMBL11312158

CN(C)CCCOC1(Cc2ccccc2)CCCCCC1.C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO.N=C(N)NS(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.43
▸ G6PD P11413 4/20 0.41
▸ GABRA1 P14867 5/20 0.34
▸ GABRB2 P47870 5/20 0.34
▸ GABRG2 P18507 3/20 0.34
▸ GABRB3 P28472 3/20 0.34
▸ GABRA2 P47869 3/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ HSD17B10 Q99714 6/20 0.32
▸ GABRP O00591 2/20 0.32
▸ GABRD O14764 2/20 0.32
▸ GABRB1 P18505 2/20 0.32
▸ GABRA5 P31644 2/20 0.32
▸ GABRA3 P34903 2/20 0.32
▸ GABRA4 P48169 2/20 0.32
▸ GABRE P78334 2/20 0.32

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
Tetrahydrocortisone SCHEMBL11214264 0.97 CYP3A4 (0.41) CYP3A4G6PDGABRA1GABRB2GABRG2
Bencyclane SCHEMBL11215911 0.75 HRH1 (0.38) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
Tetrahydrocortisone SCHEMBL10818002 0.74 G6PD (0.62) CYP3A4G6PDGABRA1GABRB2GABRG2
Tetrahydrocortisone SCHEMBL4397385 0.72 G6PD (0.76) CYP3A4G6PDGABRA1GABRB2GABRG2
Tetrahydrocortisone SCHEMBL8327377 0.72 G6PD (0.64) CYP3A4G6PDGABRA1GABRB2GABRG2
Tetrahydrocortisone SCHEMBL103860 0.72 G6PD (0.65) CYP3A4G6PDGABRA1GABRB2GABRG2
Tetrahydrocortisone SCHEMBL9788966 0.71 G6PD (0.62) CYP3A4G6PDGABRA1GABRB2GABRG2
Tetrahydrocortisone SCHEMBL23037583 0.71 G6PD (0.66) CYP3A4G6PDGABRA1GABRB2GABRG2
Tetrahydrocortisone SCHEMBL14784945 0.71 G6PD (0.66) CYP3A4G6PDGABRA1GABRB2GABRG2
Tetrahydrocortisone SCHEMBL4335304 0.71 G6PD (0.62) CYP3A4G6PDGABRA1GABRB2GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4352793-A ANTICONVULSANTS, VASODILATORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-10-05 — — US disclosed
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