SCHEMBL11022201

SCHEMBL11022201

CCCCC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C(O)C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINA6 P08185 1/20 0.47
▸ CYP19A1 P11511 6/20 0.45
▸ SHBG P04278 1/20 0.45
▸ LMNA P02545 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NR3C1 P04150 2/20 0.42
▸ PGR P06401 2/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ SRD5A2 P31213 1/20 0.41
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40

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
SCHEMBL11021232 0.92 SERPINA6 (0.50) SERPINA6CYP19A1SHBGLMNAALDH1A1
SCHEMBL11022543 0.81 SERPINA6 (0.47) SERPINA6CYP19A1SHBGLMNAALDH1A1
SCHEMBL11019743 0.80 SERPINA6 (0.70) SERPINA6CYP19A1SHBGLMNAALDH1A1
SCHEMBL11024872 0.80 ALDH1A1 (0.58) SERPINA6CYP19A1SHBGLMNAALDH1A1
SCHEMBL11022656 0.77 LMNA (0.57) CYP19A1SHBGLMNAALDH1A1CYP3A4
SCHEMBL5072793 0.74 ALDH1A1 (0.56) SERPINA6SHBGLMNAALDH1A1CYP3A4
SCHEMBL19028027 0.72 LMNA (0.74) SERPINA6SHBGLMNAALDH1A1CYP3A4
SCHEMBL11595725 0.72 LMNA (0.74) SERPINA6SHBGLMNAALDH1A1CYP3A4
SCHEMBL11024870 0.72 ALDH1A1 (0.56) SERPINA6SHBGLMNAALDH1A1CYP3A4
SCHEMBL11020224 0.71 SERPINA6 (0.62) SERPINA6CYP19A1SHBGLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0054786-B1 6-ALPHA-METHYL HYDROCORTISONE DERIVATIVES, THEIR PREPARATION AND THEIR UTILIZATION SCHERING AKTIENGESELLSCHAFT (DE) 1985-03-20 — — EP claimed
EP-0054786-B1 6-ALPHA-METHYL HYDROCORTISONE DERIVATIVES, THEIR PREPARATION AND THEIR UTILIZATION SCHERING AKTIENGESELLSCHAFT (DE) 1985-03-20 — — EP disclosed
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