SCHEMBL8672967

SCHEMBL8672967

CCOP(=O)(OCC)OC(=O)[C@@]12OC(C)(C)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 6/20 0.72
▸ LMNA P02545 5/20 0.72
▸ CYP3A4 P08684 5/20 0.72
▸ NR3C1 P04150 4/20 0.72
▸ PGR P06401 3/20 0.72
▸ NR1I2 O75469 1/20 0.72
▸ MAPT P10636 3/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ CNR1 P21554 1/20 0.61
▸ KCNH2 Q12809 1/20 0.61
▸ USP2 O75604 1/20 0.61
▸ CHRM1 P11229 2/20 0.55
▸ CHRM4 P08173 1/20 0.55
▸ CHRM5 P08912 1/20 0.55
▸ CHRM3 P20309 1/20 0.55
▸ HRH1 P35367 1/20 0.55
▸ PIN1 Q13526 1/20 0.55
▸ CHRM2 P08172 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.53
▸ TDP1 Q9NUW8 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
SCHEMBL14946255 0.87 LMNA (0.79) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL8672115 0.87 NR3C1 (0.72) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL13653728 0.86 HIF1A (0.73) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL12434538 0.86 LMNA (0.85) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL8671619 0.86 LMNA (0.85) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL15233739 0.85 LMNA (0.87) HIF1ALMNACYP3A4NR3C1PGR
Triamcinolone Acetonide Phosphoric Acid SCHEMBL8856248 0.85 HIF1A (0.79) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL13985471 0.85 LMNA (0.81) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL12396729 0.84 LMNA (0.86) HIF1ALMNACYP3A4NR3C1PGR
Triamcinolone Acetonide Phosphoric Acid SCHEMBL6544867 0.84 HIF1A (0.78) HIF1ALMNACYP3A4NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5801165-A Antiinflammatory, immunosuppressive and antialleric 16, 17-alkylidioxy-steroids RHONE-POULENC RORER LIMITED (GB) 1998-09-01 — — US disclosed
EP-0675897-B1 NEW STEROIDS RHONE POULENC RORER LTD (GB) 1997-06-18 — — EP disclosed
EP-0675897-A1 NEW STEROIDS. RHONE POULENC RORER LTD (GB) 1995-10-11 — — EP disclosed
WO-1994014834-A1 NEW STEROIDS RHONE-POULENC RORER LIMITED (GB) 1994-07-07 — — WO disclosed
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