SCHEMBL8186237

SCHEMBL8186237

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC2(O)C#CCCO

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 6/20 0.70
LMNA P02545 6/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
NR3C1 P04150 4/20 0.70
CYP2C19 P33261 3/20 0.70
TSHR P16473 3/20 0.70
PGR P06401 3/20 0.70
AR P10275 3/20 0.70
HIF1A Q16665 2/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
THRB P10828 1/20 0.70
ESR1 P03372 1/20 0.70
ALDH1A1 P00352 3/20 0.64
ADRA1A P35348 1/20 0.64
HTR2B P41595 1/20 0.64
HSD17B10 Q99714 5/20 0.62
SERPINA6 P08185 5/20 0.62
BLM P54132 4/20 0.62
PMP22 Q01453 3/20 0.62

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
SCHEMBL8082724 1.00 SHBG (0.70) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL8186233 1.00 SHBG (0.70) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL10946397 0.92 SHBG (0.73) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL10946390 0.92 SHBG (0.73) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL2637912 0.91 SHBG (0.69) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL2639416 0.91 SHBG (0.69) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL8180275 0.89 SHBG (0.67) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL8172034 0.88 SHBG (0.64) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL8186683 0.88 SHBG (0.64) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL3166846 0.88 SHBG (0.64) SHBGLMNASMN1; SMN2NR3C1CYP2C19

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
EP-0650495-B1 IMPROVED ANTIANDROGENS ENDORECHERCHE INC (CA) 2000-11-08 EP disclosed
WO-1994026767-A1 IMPROVED ANTIANDROGENS ENDORECHERCHE INC. (CA) 1994-11-24 WO disclosed