SCHEMBL8619912

SCHEMBL8619912

CC#C[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](Br)C4=CC(=O)CC[C@@H]4[C@H]3[C@@H](c3ccc(N(C)C)c(Br)c3)C[C@@]21C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 16/20 0.49
▸ PGR P06401 13/20 0.49
▸ AR P10275 11/20 0.49
▸ CYP2C8 P10632 2/20 0.48
▸ CYP3A4 P08684 4/20 0.45
▸ CYP2D6 P10635 3/20 0.45
▸ CYP2C19 P33261 3/20 0.45
▸ CYP2C9 P11712 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ THPO P40225 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ GMNN O75496 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
SCHEMBL8624310 0.88 NR3C1 (0.62) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL8621595 0.85 NR3C1 (0.60) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL8620743 0.81 NR3C1 (0.45) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL8618683 0.79 NR3C1 (0.50) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL9019846 0.74 NR3C1 (0.83) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL8407056 0.73 NR3C1 (0.48) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL8409143 0.72 PGR (0.42) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL21729781 0.71 NR3C1 (0.68) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL19042656 0.71 NR3C1 (0.68) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL19042670 0.70 NR3C1 (0.60) NR3C1PGRARCYP2C8CYP3A4

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-5843931-A 6,7-modified 11β-aryl-4-oestrenes SHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 — — US disclosed
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