SCHEMBL11863797

SCHEMBL11863797

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.40
▸ AR P10275 10/20 0.40
▸ PGR P06401 10/20 0.40
▸ SLC6A4 P31645 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ ESR1 P03372 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ NR3C1 P04150 2/20 0.40
▸ SHBG P04278 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ NR1I2 O75469 2/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ NR3C2 P08235 3/20 0.35
▸ STS P08842 1/20 0.34

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
SCHEMBL11863792 1.00 SRD5A2 (0.40) SRD5A2ARPGRSLC6A4LMNA
SCHEMBL11861831 0.85 SHBG (0.58) SRD5A2ARPGRSLC6A4LMNA
SCHEMBL11861828 0.85 SHBG (0.58) SRD5A2ARPGRSLC6A4LMNA
SCHEMBL11864782 0.83 PGR (0.45) SRD5A2ARPGRSLC6A4LMNA
SCHEMBL11864787 0.83 PGR (0.45) SRD5A2ARPGRSLC6A4LMNA
SCHEMBL9222376 0.77 AR (0.39) SRD5A2ARPGRSLC6A4LMNA
SCHEMBL9222367 0.77 AR (0.39) SRD5A2ARPGRSLC6A4LMNA
SCHEMBL11854747 0.76 SRD5A2 (0.41) SRD5A2ARESR1SHBG
SCHEMBL11854755 0.76 SRD5A2 (0.41) SRD5A2ARESR1SHBG
SCHEMBL12435438 0.73 SRD5A2 (0.36) SRD5A2ARPGRSLC6A4LMNA

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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