SCHEMBL13152085

SCHEMBL13152085

CC(=O)OCC(=O)[C@@]1(O)CCC2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 11/20 0.77
▸ CYP3A4 P08684 5/20 0.77
▸ TSHR P16473 2/20 0.77
▸ CYP2C9 P11712 2/20 0.77
▸ HSD17B10 Q99714 2/20 0.77
▸ ALDH1A1 P00352 1/20 0.77
▸ PGR P06401 4/20 0.74
▸ AR P10275 2/20 0.74
▸ LMNA P02545 2/20 0.74
▸ SERPINA6 P08185 1/20 0.74
▸ CHRM1 P11229 1/20 0.74
▸ F2 P00734 1/20 0.71
▸ KMT2A Q03164 1/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ PMP22 Q01453 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ NR3C1 P04150 3/20 0.57
▸ POLB P06746 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ MAPT P10636 1/20 0.57

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
SCHEMBL9267453 1.00 HIF1A (0.77) HIF1ACYP3A4TSHRCYP2C9HSD17B10
SCHEMBL3404879 1.00 HIF1A (0.77) HIF1ACYP3A4TSHRCYP2C9HSD17B10
SCHEMBL13103466 1.00 HIF1A (0.77) HIF1ACYP3A4TSHRCYP2C9HSD17B10
SCHEMBL6566408 1.00 HIF1A (0.77) HIF1ACYP3A4TSHRCYP2C9HSD17B10
SCHEMBL10409155 0.92 HIF1A (0.72) HIF1ACYP3A4TSHRCYP2C9HSD17B10
SCHEMBL11042400 0.92 HIF1A (0.72) HIF1ACYP3A4TSHRCYP2C9HSD17B10
SCHEMBL11042389 0.92 HIF1A (0.72) HIF1ACYP3A4TSHRCYP2C9HSD17B10
SCHEMBL10409156 0.92 HIF1A (0.72) HIF1ACYP3A4TSHRCYP2C9HSD17B10
SCHEMBL10409972 0.91 HIF1A (0.71) HIF1ACYP3A4TSHRCYP2C9HSD17B10
SCHEMBL10599491 0.91 HIF1A (0.73) HIF1ACYP3A4TSHRCYP2C9HSD17B10

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-2010114473-A1 NOVEL STEROIDAL[3,2-C]PYRAZOL DERIVATIVES WITH GLUCOCORTICOID ACTIVITY ASTRAZENECA AB (SE) 2010-10-07 — — WO disclosed
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