SCHEMBL7949838

SCHEMBL7949838

C#C[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@H]21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 9/20 0.69
▸ PGR P06401 9/20 0.69
▸ LMNA P02545 5/20 0.69
▸ CYP3A4 P08684 5/20 0.69
▸ ESR1 P03372 4/20 0.69
▸ SHBG P04278 4/20 0.69
▸ CYP2C19 P33261 4/20 0.69
▸ ABCB11 O95342 3/20 0.69
▸ SLC6A4 P31645 3/20 0.69
▸ TSHR P16473 2/20 0.69
▸ HIF1A Q16665 2/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ ADRA2A P08913 1/20 0.69
▸ AR P10275 8/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ POLB P06746 1/20 0.55
▸ THRB P10828 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PDK1 Q15118 1/20 0.51

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
SCHEMBL10495847 0.91 NR3C1 (0.57) NR3C1PGRLMNACYP3A4ESR1
SCHEMBL11424896 0.89 PGR (0.70) NR3C1PGRLMNACYP3A4ESR1
SCHEMBL11783966 0.89 PGR (0.70) NR3C1PGRLMNACYP3A4ESR1
SCHEMBL11432256 0.88 PGR (0.69) NR3C1PGRLMNACYP3A4ESR1
SCHEMBL7938357 0.86 PGR (0.67) NR3C1PGRLMNACYP3A4ESR1
SCHEMBL8216013 0.86 PGR (0.67) NR3C1PGRLMNACYP3A4ESR1
SCHEMBL8203727 0.86 PGR (0.67) NR3C1PGRLMNACYP3A4ESR1
SCHEMBL11875938 0.85 PGR (0.66) NR3C1PGRLMNACYP3A4ESR1
SCHEMBL10944309 0.85 NR3C1 (0.66) NR3C1PGRLMNACYP3A4ESR1
SCHEMBL9811566 0.84 PGR (0.52) NR3C1PGRLMNACYP3A4ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258803-B1 11-ETHYL-17-HYDROXY-19-NORPREGN-4-EN-20-YN-3-ONE FOR MENOPAUSE TREATMENT AKZO NOBEL N.V. (NL) 2001-07-10 — — US disclosed
US-6037339-A METHOD FOR TREATING OSTEOPOROSIS AKZO NOBEL N.V. (NL) 2000-03-14 — — US disclosed
US-5710144-A OSTEOPOROSIS AKZO NOBEL N.V. (NL) 1998-01-20 — — US disclosed
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