SCHEMBL8080326

SCHEMBL8080326

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 7/20 0.64
LMNA P02545 7/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
NR3C1 P04150 4/20 0.64
TSHR P16473 4/20 0.64
CYP2C19 P33261 3/20 0.64
PGR P06401 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
HIF1A Q16665 2/20 0.64
AR P10275 2/20 0.64
THRB P10828 1/20 0.64
ESR1 P03372 1/20 0.64
ALDH1A1 P00352 3/20 0.64
ADRA1A P35348 1/20 0.64
HTR2B P41595 1/20 0.64
SERPINA6 P08185 6/20 0.60
BLM P54132 4/20 0.60
MAPT P10636 2/20 0.60
ADORA3 P0DMS8 1/20 0.60

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
SCHEMBL9220296 0.91 SHBG (0.66) SHBGLMNASMN1; SMN2NR3C1TSHR
SCHEMBL8080872 0.90 SHBG (0.64) SHBGLMNASMN1; SMN2NR3C1TSHR
SCHEMBL9542555 0.86 SHBG (0.68) SHBGLMNASMN1; SMN2NR3C1TSHR
SCHEMBL9542548 0.86 SHBG (0.68) SHBGLMNASMN1; SMN2NR3C1TSHR
SCHEMBL571189 0.84 SHBG (0.74) SHBGLMNASMN1; SMN2NR3C1TSHR
SCHEMBL3946610 0.84 SHBG (0.74) SHBGLMNASMN1; SMN2NR3C1TSHR
SCHEMBL634733 0.84 SHBG (0.74) SHBGLMNASMN1; SMN2NR3C1TSHR
SCHEMBL8077892 0.82 SHBG (0.65) SHBGLMNASMN1; SMN2NR3C1TSHR
SCHEMBL11525718 0.82 SHBG (0.68) SHBGLMNASMN1; SMN2NR3C1TSHR
SCHEMBL9309932 0.82 SHBG (0.68) SHBGLMNASMN1; SMN2NR3C1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028731-A2 STABLE ANTIANDROGENIC GEL COMPOSITION SCHERING CORPORATION (US) 2000-08-23 EP disclosed
WO-1999024042-A2 STABLE ANTIANDROGENIC GEL COMPOSITION SCHERING CORPORATION (US) 1999-05-20 WO disclosed
US-5879711-A MIXTURE CONTAINING ANTIANDROGEN AGENT, ALCOHOL-WATER SOLVENT SYSTEM AND GELLING AGENT; ACIDIC PH SCHERING CORPORATION 1999-03-09 US disclosed