SCHEMBL9394253

SCHEMBL9394253

CC1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 11/20 0.57
▸ CHRM1 P11229 3/20 0.57
▸ PGR P06401 2/20 0.57
▸ SERPINA6 P08185 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ AR P10275 1/20 0.57
▸ NR3C1 P04150 4/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ NR3C2 P08235 3/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ NFKB1 P19838 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ SHBG P04278 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ CHRM4 P08173 1/20 0.53
▸ CHRM5 P08912 1/20 0.53
▸ CHRM3 P20309 1/20 0.53
▸ HRH1 P35367 1/20 0.53

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
SCHEMBL8013392 0.88 HIF1A (0.74) HIF1ACHRM1PGRSERPINA6LMNA
SCHEMBL8013397 0.88 HIF1A (0.74) HIF1ACHRM1PGRSERPINA6LMNA
SCHEMBL11794803 0.88 HIF1A (0.74) HIF1ACHRM1PGRSERPINA6LMNA
SCHEMBL3649005 0.87 HIF1A (0.72) HIF1ACHRM1PGRSERPINA6LMNA
SCHEMBL10597610 0.87 HIF1A (0.72) HIF1ACHRM1PGRSERPINA6LMNA
SCHEMBL10062395 0.87 HIF1A (0.72) HIF1ACHRM1PGRSERPINA6LMNA
SCHEMBL10597597 0.87 HIF1A (0.72) HIF1ACHRM1PGRSERPINA6LMNA
SCHEMBL147438 0.87 HIF1A (0.72) HIF1ACHRM1PGRSERPINA6LMNA
SCHEMBL11797812 0.86 HIF1A (0.61) HIF1ACHRM1PGRSERPINA6LMNA
Hydrocortisone Phosphoric Acid SCHEMBL250125 0.85 HIF1A (0.78) HIF1ACHRM1PGRSERPINA6LMNA

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-1994012523-A1 STEROID-21-PHOSPHATE COMPLEX OF TECHNETIUM-99M MALLINCKRODT MEDICAL, INC. (US) 1994-06-09 — — WO disclosed
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