SCHEMBL8596105

SCHEMBL8596105

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.56
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.46
HDAC1 Q13547 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
P2RY12 Q9H244 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL11097673 0.82 GPR139 (0.63) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8596109 0.82 GPR139 (0.56) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL12158277 0.81 LMNA (0.61) KMT2AALDH1A1TDP1LMNAHSD17B10
SCHEMBL28502817 0.79 POLB (0.51) KMT2AALDH1A1HDAC1HDAC6
SCHEMBL28502815 0.79 POLB (0.51) KMT2AALDH1A1HDAC1HDAC6
SCHEMBL11108039 0.78 GPR139 (0.52) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8127118 0.77 GPR139 (0.57) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL9398221 0.77 GPR139 (0.53) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL7716214 0.77 GPR139 (0.53) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL23154641 0.75 GPR139 (0.45) GPR139KMT2AALDH1A1MAPTHTT

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-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
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