SCHEMBL10939751

SCHEMBL10939751

C[C@]12CCC(=O)C=C1CCC1C2CC[C@@]2(C)C1[C@@H]1CC[C@@H]1[C@]21CCC(=O)O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 7/20 0.56
▸ PGR P06401 6/20 0.56
▸ NR3C1 P04150 6/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ HTR2B P41595 2/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ LMNA P02545 8/20 0.55
▸ AR P10275 5/20 0.55
▸ ABCC4 O15439 1/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ CHRM2 P08172 1/20 0.55
▸ HTR2A P28223 1/20 0.55
▸ HSD17B10 Q99714 5/20 0.54
▸ SERPINA6 P08185 5/20 0.54
▸ CYP19A1 P11511 4/20 0.54
▸ SNCA P37840 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ TSHR P16473 4/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ BLM P54132 3/20 0.54

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
SCHEMBL11041227 0.93 PGR (0.64) SHBGPGRNR3C1ALDH1A1HTR2B
SCHEMBL18218187 0.93 PGR (0.64) SHBGPGRNR3C1ALDH1A1HTR2B
SCHEMBL14256378 0.93 PGR (0.64) SHBGPGRNR3C1ALDH1A1HTR2B
SCHEMBL14256416 0.93 PGR (0.64) SHBGPGRNR3C1ALDH1A1HTR2B
SCHEMBL18220867 0.87 SHBG (0.54) SHBGPGRNR3C1ALDH1A1HTR2B
Spriolactone SCHEMBL14285054 0.80 SHBG (0.67) SHBGPGRNR3C1ALDH1A1HTR2B
Spriolactone SCHEMBL20459223 0.80 SHBG (0.67) SHBGPGRNR3C1ALDH1A1HTR2B
Spriolactone SCHEMBL18218188 0.80 SHBG (0.67) SHBGPGRNR3C1ALDH1A1HTR2B
Spriolactone SCHEMBL10786113 0.80 SHBG (0.67) SHBGPGRNR3C1ALDH1A1HTR2B
Spriolactone SCHEMBL8259555 0.80 SHBG (0.67) SHBGPGRNR3C1ALDH1A1HTR2B

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-4507238-A Process for the preparation of 3-(Δ4 -3-ketosteroid-17α-yl)propionic acid lactones SCHERING AKTIENGESELLSCHAFT (DE) 1985-03-26 — — US disclosed
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