SCHEMBL7609828

SCHEMBL7609828

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(OC(=O)C(Cl)Cl)C(=O)OCCl

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 13/20 0.81
▸ PGR P06401 7/20 0.81
▸ ABCB11 O95342 2/20 0.81
▸ NR1I2 O75469 2/20 0.81
▸ ABCC3 O15438 1/20 0.81
▸ HIF1A Q16665 5/20 0.60
▸ LMNA P02545 3/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ HSD17B10 Q99714 2/20 0.58
▸ NR3C2 P08235 2/20 0.58
▸ TNF P01375 1/20 0.58
▸ IL6 P05231 1/20 0.58
▸ SERPINA6 P08185 1/20 0.58
▸ AR P10275 1/20 0.58
▸ GLUL P15104 1/20 0.58
▸ ADAM17 P78536 1/20 0.58
▸ GPBAR1 Q8TDU6 1/20 0.58

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
Etiprednol Dicloacetate SCHEMBL20589422 0.93 NR3C1 (0.78) NR3C1PGRABCB11NR1I2ABCC3
Etiprednol Dicloacetate SCHEMBL4097770 0.93 NR3C1 (0.78) NR3C1PGRABCB11NR1I2ABCC3
Etiprednol Dicloacetate SCHEMBL13379814 0.93 NR3C1 (0.78) NR3C1PGRABCB11NR1I2ABCC3
Etiprednol Dicloacetate SCHEMBL1650565 0.93 NR3C1 (0.78) NR3C1PGRABCB11NR1I2ABCC3
Etiprednol Dicloacetate SCHEMBL13650061 0.93 NR3C1 (0.78) NR3C1PGRABCB11NR1I2ABCC3
SCHEMBL7614787 0.93 NR3C1 (0.72) NR3C1PGRABCB11NR1I2ABCC3
SCHEMBL8502600 0.92 NR3C1 (0.71) NR3C1PGRABCB11NR1I2ABCC3
SCHEMBL1685736 0.92 NR3C1 (0.86) NR3C1PGRABCB11NR1I2ABCC3
SCHEMBL4550123 0.92 NR3C1 (0.83) NR3C1PGRABCB11NR1I2ABCC3
SCHEMBL7612201 0.92 NR3C1 (0.68) NR3C1PGRABCB11NR1I2ABCC3

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
EP-0902789-B1 ANDROSTENE DERIVATIVES SOFT DRUGS INC (US) 2002-01-23 — — EP claimed
US-5981517-A FOR TREATING INFLAMMATIONS OF EYES, EARS, SKINS, INTESTINES, MOUTHS, ASTHMA, AND ARTHRITIS IN ANIMALS SOFT DRUGS, INC. (US) 1999-11-09 — — US claimed
EP-0902789-B1 ANDROSTENE DERIVATIVES SOFT DRUGS INC (US) 2002-01-23 — — EP disclosed
US-5981517-A FOR TREATING INFLAMMATIONS OF EYES, EARS, SKINS, INTESTINES, MOUTHS, ASTHMA, AND ARTHRITIS IN ANIMALS SOFT DRUGS, INC. (US) 1999-11-09 — — US disclosed
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