SCHEMBL8596109

SCHEMBL8596109

COC(=O)CC[C@H](NC(=O)CSC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.56
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 1/20 0.40
AKT1 P31749 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
NAALAD2 Q9Y3Q0 2/20 0.39
MEN1 O00255 1/20 0.39
ESRRB O95718 1/20 0.39
GAA P10253 1/20 0.39
C3AR1 Q16581 1/20 0.38
ACE P12821 2/20 0.38
FOLH1 Q04609 1/20 0.38

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
SCHEMBL8596105 0.82 GPR139 (0.56) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL9352752 0.82 GPR139 (0.56) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL6381157 0.79 GPR139 (0.58) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL6889605 0.77 KMT2A (0.54) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL11097673 0.77 GPR139 (0.63) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8123498 0.76 GPR139 (0.71) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8123489 0.76 GPR139 (0.71) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8243432 0.75 NPC1 (0.55) ALDH1A1L3MBTL1C3AR1FOLH1
SCHEMBL2249325 0.75 NPC1 (0.55) ALDH1A1L3MBTL1C3AR1FOLH1
SCHEMBL11113484 0.74 FNTA (0.59) ALDH1A1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710228-B1 HYDRAZINO-TYPE RADIONUCLIDE CHELATORS HAVING AN N 3?S CONFIGURATION RESOLUTION PHARM INC (CA) 1998-01-21 EP disclosed
US-5659041-A MEDICAL DIAGNOSIS, THERAPY RESOLUTION PHARMACEUTICALS, INC. (CA) 1997-08-19 US disclosed
US-5643780-A CONTROLLING PROTEIN EXPRESSION IN CELLS ISIS PHARMACEUTICALS, INC. (US) 1997-07-01 US disclosed
EP-0710228-A1 HYDRAZINO-TYPE RADIONUCLIDE CHELATORS HAVING AN N 3?S CONFIGURATION RESOLUTION PHARMACEUTICALS INC. (CA) 1996-05-08 EP disclosed
WO-1995003280-A1 HYDRAZINO-TYPE RADIONUCLIDE CHELATORS HAVING AN N3S CONFIGURATION RESOLUTION PHARMACEUTICALS INC. (CA) 1995-02-02 WO disclosed