SCHEMBL9019852

SCHEMBL9019852

CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@@H](c3ccc(-c4cncnc4)cc3)C[C@@]21C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 16/20 0.62
▸ PGR P06401 15/20 0.62
▸ AR P10275 13/20 0.62
▸ CYP3A4 P08684 3/20 0.59
▸ CYP2C8 P10632 1/20 0.49
▸ LMNA P02545 2/20 0.45
▸ ABCB11 O95342 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ SHBG P04278 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45

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
SCHEMBL9019827 0.91 NR3C1 (0.59) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL9019799 0.88 NR3C1 (0.63) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL19042656 0.87 NR3C1 (0.68) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL21729781 0.87 NR3C1 (0.68) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL8407056 0.87 NR3C1 (0.48) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL9019806 0.86 NR3C1 (0.61) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL9019798 0.85 NR3C1 (0.67) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL9019846 0.85 NR3C1 (0.83) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL9019810 0.85 PGR (0.65) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL9019833 0.84 PGR (0.64) NR3C1PGRARCYP3A4CYP2C8

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
EP-0404283-B1 11-Beta-aryl-4-estrene, method for its production and its use as a medicine SCHERING AG (DE) 1996-05-08 — — EP claimed
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