SCHEMBL6547189

SCHEMBL6547189

CCCCCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CCCCC)C(O)C[C@@H]12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 2/20 0.58
THRB P10828 1/20 0.58
LMNA P02545 6/20 0.57
ESR1 P03372 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
ADORA3 P0DMS8 3/20 0.57
ATM Q13315 3/20 0.57
PGR P06401 3/20 0.57
AR P10275 3/20 0.57
CHRM1 P11229 2/20 0.57
TBXA2R P21731 2/20 0.57
USP2 O75604 2/20 0.57
TP53 P04637 2/20 0.57
CYP3A4 P08684 2/20 0.57
PTGS1 P23219 2/20 0.57
POLB P06746 1/20 0.57
PDE3A Q14432 1/20 0.57
ALOX15 P16050 1/20 0.57

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
SCHEMBL4254922 1.00 MAPT (0.58) MAPTKMT2AMEN1THRBLMNA
SCHEMBL10710638 0.99 MAPT (0.57) MAPTKMT2AMEN1THRBLMNA
SCHEMBL10361012 0.97 LMNA (0.60) MAPTKMT2AMEN1THRBLMNA
SCHEMBL10360650 0.94 MAPT (0.60) MAPTKMT2AMEN1THRBLMNA
SCHEMBL4254924 0.89 MAPT (0.59) MAPTKMT2AMEN1THRBLMNA
SCHEMBL4585647 0.89 MAPT (0.62) MAPTKMT2AMEN1THRBLMNA
SCHEMBL32662774 0.89 MAPT (0.73) MAPTKMT2AMEN1THRBLMNA
SCHEMBL6331808 0.89 MAPT (0.73) MAPTKMT2AMEN1THRBLMNA
SCHEMBL10349557 0.88 MAPT (0.58) MAPTKMT2AMEN1THRBLMNA
SCHEMBL4585643 0.88 LMNA (0.73) MAPTKMT2AMEN1LMNAESR1

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-1478369-A1 USE OF BIOGENIC ESTRIOL DIESTER PRODRUGS FOR THE TREATMENT OF AUTOIMMUNE DISEASES Schering Aktiengesellschaft (DE) 2004-11-24 EP disclosed
WO-2003072110-A1 USE OF BIOGENIC ESTRIOL DIESTER PRODRUGS FOR THE TREATMENT OF AUTOIMMUNE DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 2003-09-04 WO disclosed