SCHEMBL8407253

SCHEMBL8407253

CC#C[C@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@H]3[C@@H](c3ccc(-c4ccc([S+](C)[O-])cc4)cc3)C[C@@]21C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 15/20 0.49
▸ PGR P06401 9/20 0.45
▸ AR P10275 5/20 0.44
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ CYP2C8 P10632 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ GMNN O75496 1/20 0.43

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
SCHEMBL8407360 0.89 NR3C1 (0.47) NR3C1PGRARCYP3A4CYP2D6
SCHEMBL8407402 0.88 NR3C1 (0.54) NR3C1PGRARCYP3A4CYP2D6
SCHEMBL8408969 0.88 NR3C1 (0.48) NR3C1PGRARCYP3A4CYP2D6
SCHEMBL8620050 0.88 NR3C1 (0.47) NR3C1PGRARCYP3A4CYP2D6
SCHEMBL8408961 0.87 NR3C1 (0.57) NR3C1PGRARCYP2C8
SCHEMBL8619892 0.85 NR3C1 (0.46) NR3C1PGRARCYP3A4CYP2D6
SCHEMBL8622523 0.85 NR3C1 (0.59) NR3C1PGRARCYP3A4CYP2D6
SCHEMBL8624242 0.81 NR3C1 (0.48) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL8620743 0.80 NR3C1 (0.45) NR3C1PGRARCYP3A4CYP2D6
SCHEMBL8618678 0.80 NR3C1 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565553-B1 6,7-MODIFIED 11$g(b)-ARYL-4-ESTRENES SCHERING AG (DE) 1999-07-21 — — EP claimed
US-5843931-A 6,7-modified 11β-aryl-4-oestrenes SHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 — — US disclosed
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