SCHEMBL9848864

SCHEMBL9848864

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 6/20 0.69
NR3C1 P04150 3/20 0.69
ALDH1A1 P00352 3/20 0.69
PGR P06401 2/20 0.69
ADRA1A P35348 1/20 0.69
HTR2B P41595 1/20 0.69
LMNA P02545 5/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
SERPINA6 P08185 5/20 0.67
BLM P54132 4/20 0.67
CYP2C19 P33261 3/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
ADORA3 P0DMS8 1/20 0.67
MAPT P10636 1/20 0.67
MAPK3 P27361 1/20 0.67
SLC6A3 Q01959 1/20 0.67
HSD17B10 Q99714 4/20 0.67
TSHR P16473 3/20 0.67
PMP22 Q01453 3/20 0.67

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
SCHEMBL7497316 1.00 SHBG (0.69) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL7497323 1.00 SHBG (0.69) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL3507486 0.89 SHBG (0.67) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL3507483 0.89 SHBG (0.67) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL10442233 0.89 SHBG (0.67) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL10442230 0.89 SHBG (0.67) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL28396227 0.88 SHBG (0.65) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL10959915 0.88 SHBG (0.65) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL10959929 0.88 SHBG (0.65) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL3365607 0.88 SHBG (0.68) SHBGNR3C1ALDH1A1PGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350707-A1 Androstane derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1990-01-17 EP claimed
EP-0423842-A2 Steroids and therapeutic compositions containing same Research Corporation (US) 1991-04-24 EP disclosed
EP-0350707-A1 Androstane derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1990-01-17 EP disclosed
EP-0133995-A2 Steroids and therapeutic compositions containing same RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1985-03-13 EP disclosed