SCHEMBL9220296

SCHEMBL9220296

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 6/20 0.66
LMNA P02545 6/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
NR3C1 P04150 3/20 0.66
CYP2C19 P33261 3/20 0.66
TSHR P16473 3/20 0.66
PGR P06401 2/20 0.66
HIF1A Q16665 2/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
AR P10275 2/20 0.66
THRB P10828 1/20 0.66
ESR1 P03372 1/20 0.66
ALDH1A1 P00352 3/20 0.65
ADRA1A P35348 1/20 0.65
HTR2B P41595 1/20 0.65
HSD17B10 Q99714 5/20 0.63
SERPINA6 P08185 5/20 0.63
BLM P54132 4/20 0.63
PMP22 Q01453 3/20 0.63

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
SCHEMBL8080872 0.91 SHBG (0.64) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL8080326 0.91 SHBG (0.64) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL9542548 0.87 SHBG (0.68) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL9542555 0.87 SHBG (0.68) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL29437217 0.85 SHBG (0.71) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL3946610 0.85 SHBG (0.74) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL634733 0.85 SHBG (0.74) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL571189 0.85 SHBG (0.74) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL10946397 0.84 SHBG (0.73) SHBGLMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL10946390 0.84 SHBG (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650495-A1 IMPROVED ANTIANDROGENS ENDORECHERCHE INC. (CA) 1995-05-03 EP disclosed