SCHEMBL8535903

SCHEMBL8535903

CCOC(=O)C(CCCCNC(=O)Cc1ncc[nH]1)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 4/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
NAMPT P43490 2/20 0.35
PTPN1 P18031 1/20 0.35
TBXAS1 P24557 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2823768 0.81 TRPV1 (0.47) KMT2AMAPTLMNAGAATBXAS1
SCHEMBL26398365 0.74 GAA (0.43) TDP1MEN1KMT2AMAPTLMNA
SCHEMBL7866877 0.72 HSD17B10 (0.50) TDP1KMT2ALMNAGAAALDH1A1
Hydrochloric Acid SCHEMBL7019349 0.70 HSD17B10 (0.49) TDP1KMT2ALMNAGAAALDH1A1
SCHEMBL17102904 0.70 MAPK1 (0.52) TDP1MEN1KMT2AL3MBTL1MAPT
SCHEMBL8536338 0.70 NLRP3 (0.39) TDP1MEN1KMT2AL3MBTL1MAPT
SCHEMBL7297042 0.70 TBXAS1 (0.51) MEN1KMT2ANAMPTTBXAS1
SCHEMBL7742657 0.69 GAA (0.42) TDP1MEN1KMT2AMAPTLMNA
SCHEMBL1075053 0.68 GAA (0.46) TDP1MEN1KMT2AMAPTGAA
SCHEMBL11655565 0.67 TDP1 (0.56) TDP1MEN1KMT2AL3MBTL1MAPT

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