SCHEMBL11669558

SCHEMBL11669558

C#C[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C(O)C[C@@H]4[C@H]3CC[C@]12CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.43
▸ CYP3A4 P08684 5/20 0.43
▸ SLC6A4 P31645 5/20 0.43
▸ PGR P06401 5/20 0.43
▸ ABCB11 O95342 4/20 0.43
▸ NR3C1 P04150 4/20 0.43
▸ ESR1 P03372 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ SHBG P04278 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ AR P10275 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ SERPINA6 P08185 2/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ TSHR P16473 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ ADRA2A P08913 1/20 0.39

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
SCHEMBL5173777 0.78 NR1I2 (0.62) LMNACYP3A4SLC6A4PGRABCB11
SCHEMBL11669557 0.78 PGR (0.42) LMNACYP3A4SLC6A4PGRABCB11
SCHEMBL5173779 0.78 NR1I2 (0.62) LMNACYP3A4SLC6A4PGRABCB11
SCHEMBL9663211 0.78 PGR (0.45) LMNACYP3A4SLC6A4PGRABCB11
SCHEMBL5074748 0.78 PGR (0.45) LMNACYP3A4SLC6A4PGRABCB11
SCHEMBL3816344 0.74 SERPINA6 (0.72) LMNACYP3A4PGRNR3C1ESR1
SCHEMBL11852053 0.74 SHBG (0.47) LMNACYP3A4SLC6A4PGRABCB11
SCHEMBL4108527 0.72 PGR (0.53) LMNACYP3A4SLC6A4PGRABCB11
SCHEMBL11699038 0.72 SERPINA6 (0.71) LMNACYP3A4PGRABCB11NR3C1
SCHEMBL6832273 0.72 CYP19A1 (0.65) SHBGALDH1A1SERPINA6SLC22A1THRB

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-4014988-A Method for treating hypermenorrhea with uterine therapeutic system ALZA CORPORATION (US) 1977-03-29 — — US claimed
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