SCHEMBL11097673

SCHEMBL11097673

COC(=O)C(NC(=O)CSC(=O)c1ccccc1)C(NC(=O)CSC(=O)c1ccccc1)C(=O)OC

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.63
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ESRRB O95718 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8123498 0.79 GPR139 (0.71) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8123489 0.79 GPR139 (0.71) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8596109 0.77 GPR139 (0.56) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL6889605 0.76 KMT2A (0.54) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL12642206 0.76 GPR139 (0.62) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL11098136 0.75 GPR139 (0.54) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL17369074 0.74 GPR139 (0.60) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL9082829 0.74 ESRRB (0.49) GPR139KMT2AALDH1A1MAPTTSHR
SCHEMBL10639568 0.74 ESRRB (0.49) GPR139KMT2AALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4444690-A RADIOPHARMACEUTICALS FOR MAMMALIAN RENAL SYSTEMS UNIVERSITY PATENTS, INC. (US) 1984-04-24 US disclosed