SCHEMBL9067652

SCHEMBL9067652

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 2/20 0.57
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.40
MME P08473 4/20 0.40
ACE P12821 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
OPRD1 P41143 5/20 0.38
OPRM1 P35372 4/20 0.38
OPRK1 P41145 1/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL14417102 0.84 GPR139 (0.52) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL1055212 0.84 GPR139 (0.52) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL9067252 0.82 GPR139 (0.59) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL9067712 0.82 GPR139 (0.48) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8595095 0.81 GPR139 (0.55) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8123489 0.80 GPR139 (0.71) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8123498 0.80 GPR139 (0.71) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL9067654 0.80 GPR139 (0.47) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL28286556 0.80 MME (0.39) MMEACEL3MBTL1OPRD1OPRM1
SCHEMBL8132701 0.78 MME (0.44) GPR139KMT2AALDH1A1MAPTMME

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
US-5534497-A RADIOPHARMACEUTICALS; MEDICAL DIAGNOSIS MALLINCKRODT MEDICAL, INC. (US) 1996-07-09 US disclosed
US-5187264-A Technetium chelates to be used for determining the renal function MALLINCKRODT MEDICAL, INC. (US) 1993-02-16 US disclosed
EP-0250013-B1 TECHNETIUM CHELATES TO BE USED FOR DETERMINING THE RENAL FUNCTION MALLINCKRODT, INC.(a Missouri corporation) (US) 1990-05-09 EP disclosed
US-4849511-A Technetium chelates to be used for determining the renal function MALLINCKRODT, INC. (US) 1989-07-18 US disclosed
EP-0250013-A1 Technetium chelates to be used for determining the renal function MALLINCKRODT, INC.(a Missouri corporation) (US) 1987-12-23 EP disclosed