SCHEMBL9322215

SCHEMBL9322215

C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]32OCCC2=O)[C@H]2CCC(=O)C=C12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.46
▸ AR P10275 7/20 0.46
▸ NR3C2 P08235 2/20 0.43
▸ CYP19A1 P11511 2/20 0.42
▸ LMNA P02545 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ ABCB11 O95342 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ NR3C1 P04150 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ SHBG P04278 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL8425073 0.91 PGR (0.49) PGRARNR3C2CYP19A1LMNA
SCHEMBL8719499 0.82 PGR (0.48) PGRARNR3C2CYP19A1LMNA
SCHEMBL6008256 0.82 PGR (0.51) PGRARNR3C2CYP19A1LMNA
SCHEMBL8425076 0.82 PGR (0.64) PGRARNR3C2CYP19A1LMNA
SCHEMBL9472235 0.81 LMNA (0.62) PGRARNR3C2LMNACYP3A4
SCHEMBL7882963 0.81 LMNA (0.62) PGRARNR3C2LMNACYP3A4
SCHEMBL10601034 0.79 PGR (0.50) PGRARNR3C2CYP19A1LMNA
SCHEMBL11788940 0.78 LMNA (0.69) PGRARCYP19A1LMNACYP3A4
SCHEMBL10603383 0.78 LMNA (0.69) PGRARCYP19A1LMNACYP3A4
SCHEMBL13334668 0.78 PGR (0.46) PGRARNR3C2CYP19A1LMNA

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-0582338-A2 17-Spiromethylene steroids Akzo Nobel N.V. (NL) 1994-02-09 — — EP disclosed
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