SCHEMBL8505986

SCHEMBL8505986

C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(OC(=O)C(Cl)Cl)C(=O)O)[C@@]2(C)C=CC(=O)C=C12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.60
▸ CYP3A4 P08684 5/20 0.60
▸ AR P10275 2/20 0.60
▸ F2 P00734 1/20 0.60
▸ NR3C1 P04150 5/20 0.60
▸ HIF1A Q16665 5/20 0.60
▸ ABCB11 O95342 3/20 0.60
▸ NR1I2 O75469 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ ABCC4 O15439 1/20 0.60
▸ PDE4D Q08499 1/20 0.60
▸ ABCC3 O15438 1/20 0.48
▸ CYP19A1 P11511 5/20 0.46
▸ CYP2C9 P11712 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ TSHR P16473 1/20 0.42

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
SCHEMBL8505959 0.92 PGR (0.59) PGRCYP3A4ARF2NR3C1
SCHEMBL8527279 0.91 ABCB11 (0.53) PGRCYP3A4ARF2NR3C1
SCHEMBL8505510 0.90 PGR (0.57) PGRCYP3A4ARF2NR3C1
SCHEMBL8505481 0.90 PGR (0.59) PGRCYP3A4ARF2NR3C1
SCHEMBL8505975 0.90 PGR (0.60) PGRCYP3A4ARF2NR3C1
SCHEMBL20589514 0.84 NR3C1 (0.65) PGRCYP3A4ARNR3C1HIF1A
SCHEMBL7609790 0.84 NR3C1 (0.65) PGRCYP3A4ARNR3C1HIF1A
SCHEMBL10902204 0.83 NR3C1 (0.70) PGRCYP3A4ARF2NR3C1
SCHEMBL10902192 0.83 NR3C1 (0.70) PGRCYP3A4ARF2NR3C1
SCHEMBL6836061 0.83 PGR (0.67) PGRCYP3A4ARF2NR3C1

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-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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