SCHEMBL10409158

SCHEMBL10409158

CC(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 11/20 0.69
▸ CYP3A4 P08684 6/20 0.69
▸ HSD17B10 Q99714 3/20 0.69
▸ TSHR P16473 2/20 0.69
▸ CYP2C9 P11712 2/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ KMT2A Q03164 2/20 0.62
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ PGR P06401 4/20 0.59
▸ AR P10275 2/20 0.59
▸ SERPINA6 P08185 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ CHRM1 P11229 1/20 0.59
▸ NFKB1 P19838 2/20 0.58
▸ PMP22 Q01453 1/20 0.58
▸ NR3C1 P04150 4/20 0.57
▸ MAPT P10636 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ F2 P00734 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
SCHEMBL11042389 0.91 HIF1A (0.72) HIF1ACYP3A4HSD17B10TSHRCYP2C9
SCHEMBL11042400 0.91 HIF1A (0.72) HIF1ACYP3A4HSD17B10TSHRCYP2C9
SCHEMBL10409156 0.91 HIF1A (0.72) HIF1ACYP3A4HSD17B10TSHRCYP2C9
SCHEMBL10409155 0.91 HIF1A (0.72) HIF1ACYP3A4HSD17B10TSHRCYP2C9
SCHEMBL9267453 0.89 HIF1A (0.77) HIF1ACYP3A4HSD17B10TSHRCYP2C9
SCHEMBL3404879 0.89 HIF1A (0.77) HIF1ACYP3A4HSD17B10TSHRCYP2C9
SCHEMBL13103466 0.89 HIF1A (0.77) HIF1ACYP3A4HSD17B10TSHRCYP2C9
SCHEMBL13152085 0.89 HIF1A (0.77) HIF1ACYP3A4HSD17B10TSHRCYP2C9
SCHEMBL6566408 0.89 HIF1A (0.77) HIF1ACYP3A4HSD17B10TSHRCYP2C9
SCHEMBL10409157 0.89 HIF1A (0.73) HIF1ACYP3A4HSD17B10TSHRCYP2C9

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-4912098-A Antiinflammatory 6 alpha-methylhydrocortisones SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-27 — — US disclosed
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