SCHEMBL9114073

SCHEMBL9114073

CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)O)O1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 6/20 0.64
▸ AR P10275 3/20 0.64
▸ PGR P06401 3/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ USP2 O75604 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ HRH1 P35367 1/20 0.50
▸ HIF1A Q16665 1/20 0.50

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
SCHEMBL8500255 0.93 CYP3A4 (0.63) NR3C1ARPGRCYP3A4USP2
SCHEMBL10352327 0.92 NR3C1 (0.74) NR3C1ARPGRCYP3A4USP2
SCHEMBL10543449 0.92 NR3C1 (0.74) NR3C1ARPGRCYP3A4USP2
SCHEMBL10352704 0.92 NR3C1 (0.74) NR3C1ARPGRCYP3A4USP2
SCHEMBL7081817 0.86 NR3C1 (0.70) NR3C1ARPGRCYP3A4USP2
SCHEMBL8674574 0.86 NR3C1 (0.70) NR3C1ARPGRCYP3A4USP2
SCHEMBL8501453 0.86 NR3C1 (0.55) NR3C1ARPGRCYP3A4USP2
SCHEMBL7741861 0.84 LMNA (0.64) NR3C1PGRCYP3A4USP2HSD17B10
SCHEMBL7894324 0.81 NR3C1 (0.68) NR3C1ARPGRCYP3A4USP2
SCHEMBL8138913 0.80 NR3C1 (0.66) NR3C1ARPGRCYP3A4USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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