SCHEMBL11864787

SCHEMBL11864787

CCC12CC[C@H]3[C@@H](CC=C4C=C(O)CC[C@@H]43)[C@@H]1CC[C@@]2(O)C#CCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 12/20 0.45
▸ AR P10275 12/20 0.45
▸ SLC6A4 P31645 5/20 0.45
▸ ESR1 P03372 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ SHBG P04278 3/20 0.45
▸ NR3C1 P04150 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ NR1I2 O75469 3/20 0.43
▸ SRD5A2 P31213 2/20 0.37
▸ OPRM1 P35372 3/20 0.34
▸ ADORA3 P0DMS8 2/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ AGTR1 P30556 2/20 0.33
▸ DRD3 P35462 2/20 0.33

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
SCHEMBL11864782 1.00 PGR (0.45) PGRARSLC6A4ESR1LMNA
SCHEMBL11861831 0.88 SHBG (0.58) PGRARSLC6A4ESR1LMNA
SCHEMBL11861828 0.88 SHBG (0.58) PGRARSLC6A4ESR1LMNA
SCHEMBL11863792 0.83 SRD5A2 (0.40) PGRARSLC6A4ESR1LMNA
SCHEMBL11863797 0.83 SRD5A2 (0.40) PGRARSLC6A4ESR1LMNA
SCHEMBL11858281 0.75 PGR (0.78) PGRARSLC6A4ESR1LMNA
SCHEMBL1843682 0.75 PGR (0.78) PGRARSLC6A4ESR1LMNA
SCHEMBL11860406 0.74 PGR (0.55) PGRARSLC6A4ESR1LMNA
SCHEMBL10477563 0.74 PGR (0.41) PGRARSLC6A4ESR1LMNA
SCHEMBL11865905 0.74 ESR1 (0.56) PGRARSLC6A4ESR1LMNA

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-3959322-A Synthesis of 13-alkyl-gon-4-ones Smith, Herchel (US) 1976-05-25 — — US disclosed
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