SCHEMBL10708917

SCHEMBL10708917

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)C(O)C(CC(=O)O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 9/20 0.63
▸ LMNA P02545 2/20 0.63
▸ NR3C1 P04150 10/20 0.63
▸ CYP2C19 P33261 2/20 0.63
▸ HSD17B10 Q99714 2/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ PGR P06401 2/20 0.63
▸ SERPINA6 P08185 2/20 0.63
▸ NR3C2 P08235 2/20 0.63
▸ CYP3A4 P08684 2/20 0.63
▸ NFKB1 P19838 2/20 0.63
▸ SHBG P04278 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ AR P10275 1/20 0.59
▸ CHRM1 P11229 1/20 0.59
▸ PMP22 Q01453 1/20 0.54
▸ TSHR P16473 1/20 0.54

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
SCHEMBL8538851 0.89 HIF1A (0.69) HIF1ALMNANR3C1CYP2C19HSD17B10
SCHEMBL3638583 0.88 HIF1A (0.68) HIF1ALMNANR3C1CYP2C19HSD17B10
SCHEMBL10730817 0.88 HIF1A (0.68) HIF1ALMNANR3C1CYP2C19HSD17B10
SCHEMBL607956 0.87 HIF1A (0.72) HIF1ALMNANR3C1CYP2C19HSD17B10
SCHEMBL10708089 0.85 HSD17B10 (0.62) HIF1ALMNANR3C1CYP2C19HSD17B10
SCHEMBL9437393 0.84 HIF1A (0.75) HIF1ALMNANR3C1CYP2C19HSD17B10
SCHEMBL11814284 0.84 HIF1A (0.81) HIF1ALMNANR3C1CYP2C19HSD17B10
SCHEMBL16020569 0.82 HIF1A (0.78) HIF1ALMNANR3C1CYP2C19HSD17B10
SCHEMBL603002 0.82 HIF1A (0.69) HIF1ALMNANR3C1CYP2C19HSD17B10
SCHEMBL7614974 0.81 HIF1A (0.77) HIF1ALMNANR3C1CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127829-B1 IMPROVED STEROID ESTERS PREPARATION AB LEO (SE) 1988-02-24 — — EP disclosed
US-4537722-A CARBODIIMIDES WITH ACID CATALYSTS ARE USED AS CONDENSING AGENTS AB LEO (SE) 1985-08-27 — — US disclosed
EP-0127829-A2 Improved steroid esters preparation AB LEO (SE) 1984-12-12 — — EP disclosed
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