SCHEMBL11680779

SCHEMBL11680779

C#C[C@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@H]3C=C[C@@]21C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.47
▸ LMNA P02545 5/20 0.47
▸ ESR1 P03372 5/20 0.47
▸ SHBG P04278 5/20 0.47
▸ NR3C1 P04150 5/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ SLC6A4 P31645 4/20 0.47
▸ ABCB11 O95342 3/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ ADRA2A P08913 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ AR P10275 7/20 0.44
▸ NR3C2 P08235 2/20 0.44
▸ NR1I2 O75469 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ SLC6A3 Q01959 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
SCHEMBL2833264 0.79 PGR (0.62) PGRLMNAESR1SHBGNR3C1
SCHEMBL8407237 0.70 NR3C1 (0.54) PGRLMNAESR1NR3C1CYP3A4
Norgestrienone SCHEMBL146644 0.70 NR3C1 (0.74) PGRLMNAESR1SHBGNR3C1
SCHEMBL10495815 0.69 NR3C1 (0.45) PGRLMNAESR1NR3C1CYP3A4
SCHEMBL11595243 0.66 CYP19A1 (0.63) PGRLMNAESR1SHBGNR3C1
SCHEMBL7858905 0.66 CYP19A1 (0.63) PGRLMNAESR1SHBGNR3C1
SCHEMBL13474801 0.65 AR (0.55) PGRLMNAESR1SHBGNR3C1
SCHEMBL8408961 0.65 NR3C1 (0.57) PGRNR3C1AR
SCHEMBL5974395 0.65 PGR (0.59) PGRLMNAESR1SHBGNR3C1
Gestadienol SCHEMBL931512 0.65 AR (0.65) PGRLMNASHBGNR3C1CYP3A4

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
US-4016270-A Method for treating dysmenorrhea with a uterine therapeutic system ALZA CORPORATION (US) 1977-04-05 — — US claimed
US-4016270-A Method for treating dysmenorrhea with a uterine therapeutic system ALZA CORPORATION (US) 1977-04-05 — — US disclosed
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