SCHEMBL8536338

SCHEMBL8536338

CCOC(=O)C(CCCCNC(=O)Cn1cccn1)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.39
TDP1 Q9NUW8 3/20 0.39
GLS O94925 2/20 0.38
NR5A1 Q13285 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL30646537 0.72 GLS (0.45) TDP1GLSKMT2ATHRBLMNA
SCHEMBL19022012 0.72 GLS (0.47) TDP1GLSMEN1KMT2ATHRB
SCHEMBL17102904 0.71 MAPK1 (0.52) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL8535903 0.70 TDP1 (0.40) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL1093819 0.69 GSK3A (0.44) NLRP3MAPK1THRBLMNAALDH1A1
SCHEMBL11655565 0.68 TDP1 (0.56) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL19223347 0.67 TDP1 (0.46) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL19009018 0.67 GLS (0.48) TDP1GLSMEN1KMT2ATHRB
SCHEMBL15710817 0.67 TDP1 (0.50) TDP1L3MBTL1MAPK1MEN1KMT2A
SCHEMBL19000038 0.67 PSMB8 (0.45) TDP1GLSMEN1KMT2ATHRB

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-0668874-B1 LHRH ANTAGONISTS AND INTERMEDIATE PRODUCTS SCHERING AG (DE) 1998-08-26 EP disclosed
US-5527777-A TREATMENT OF PROSTATE CANCER, ANTIFERTILITY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1996-06-18 US disclosed
EP-0668874-A1 LHRH ANTAGONISTS AND INTERMEDIATE PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1995-08-30 EP disclosed
WO-1992020711-A2 LHRH ANTAGONISTS AND INTERMEDIATE PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-11-26 WO disclosed