SCHEMBL13768993

SCHEMBL13768993

C=CCC(=O)OC1C2C[C@@H]2C2C3C=CC4=CC(=O)CCC4C3CCC12C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.40
▸ PGR P06401 6/20 0.40
▸ NR3C2 P08235 2/20 0.40
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SERPINA6 P08185 2/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SHBG P04278 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ CYP19A1 P11511 3/20 0.31

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
SCHEMBL10089113 0.76 AR (0.48) ARPGRNR3C2SERPINA6SLC22A1
SCHEMBL4213846 0.73 AR (0.46) ARPGRNR3C2LMNASERPINA6
SCHEMBL7703808 0.69 SHBG (0.59) ARPGRNR3C2MAPTLMNA
SCHEMBL30140884 0.69 SHBG (0.59) ARPGRNR3C2MAPTLMNA
SCHEMBL2832958 0.69 SHBG (0.59) ARPGRNR3C2MAPTLMNA
SCHEMBL14200096 0.69 CYP17A1 (0.54) ARPGRNR3C2MAPTLMNA
SCHEMBL8843324 0.69 CYP17A1 (0.54) ARPGRNR3C2MAPTLMNA
SCHEMBL12101456 0.69 CYP17A1 (0.54) ARPGRNR3C2MAPTLMNA
SCHEMBL4261966 0.69 AR (0.50) ARPGRNR3C2MAPTLMNA
SCHEMBL13397495 0.69 CYP17A1 (0.54) ARPGRNR3C2MAPTLMNA

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
WO-2009083272-A2 19-NOR-STEROID DERIVATIVES WITH A 15α,16α-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-09 — — WO disclosed
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