SCHEMBL7094755

SCHEMBL7094755

CC1=CC(=O)C=C2CC[C@@H]3[C@H](C(O)C[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)COC(=O)CCC3CCCC3)[C@@]12C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 13/20 0.60
▸ LMNA P02545 3/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ PGR P06401 5/20 0.57
▸ CYP3A4 P08684 4/20 0.57
▸ NFKB1 P19838 2/20 0.57
▸ PMP22 Q01453 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ MAPT P10636 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ SERPINA6 P08185 3/20 0.54
▸ AR P10275 2/20 0.54
▸ CHRM1 P11229 1/20 0.54
▸ KMT2A Q03164 2/20 0.51
▸ NR3C1 P04150 5/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ CYP2C19 P33261 3/20 0.51
▸ NR3C2 P08235 2/20 0.51
▸ ABCB11 O95342 1/20 0.51

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
SCHEMBL770501 0.90 HIF1A (0.72) HIF1ALMNASMN1; SMN2PGRCYP3A4
SCHEMBL10527431 0.89 HIF1A (0.62) HIF1ALMNASMN1; SMN2PGRCYP3A4
SCHEMBL871152 0.88 HIF1A (0.76) HIF1ALMNASMN1; SMN2PGRCYP3A4
SCHEMBL10603555 0.88 HIF1A (0.65) HIF1ALMNASMN1; SMN2PGRCYP3A4
SCHEMBL7574132 0.88 HIF1A (0.73) HIF1ALMNASMN1; SMN2PGRCYP3A4
SCHEMBL10700873 0.87 HIF1A (0.64) HIF1ALMNASMN1; SMN2PGRCYP3A4
SCHEMBL13232 0.87 HIF1A (0.74) HIF1ALMNASMN1; SMN2PGRCYP3A4
SCHEMBL10883093 0.87 HIF1A (0.63) HIF1ALMNASMN1; SMN2PGRCYP3A4
SCHEMBL11108120 0.85 HIF1A (0.61) HIF1ALMNASMN1; SMN2PGRCYP3A4
SCHEMBL11110241 0.84 HIF1A (0.62) HIF1ALMNASMN1; SMN2PGRCYP3A4

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
WO-2003082251-A2 THE EFFERVESCENT PHARMACEUTICAL DOSAGE FORM OF ESTERS AND ESTER SALTS OF 6 α METHYLPREDNISOLONE SUCCINATE, PROCEDURE FOR ITS OBTAINING AND APPLICATION HEMOFARM KONCERN A.D. PHARMACEUTICAL AND CHEMICAL INDUSTRY (YU) 2003-10-09 — — WO disclosed
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