SCHEMBL11066302

SCHEMBL11066302

NC(N)(CC(=O)O)SSCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
LMNA P02545 4/20 0.42
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 3/20 0.39
APEX1 P27695 2/20 0.35
BHMT Q93088 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
ALDH1A1 P00352 3/20 0.32
THRB P10828 2/20 0.32
MEN1 O00255 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2128079 0.74 TSHR (0.50) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL29105029 0.71 TSHR (0.46) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL12656182 0.70 TSHR (0.57) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL95982 0.69 TSHR (1.00) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL2538706 0.68 TSHR (0.43) TSHRLMNAKMT2AHSD17B10TDP1
Hydrochloric Acid SCHEMBL10457214 0.67 TSHR (0.93) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL30845449 0.67 TSHR (0.93) TSHRLMNAKMT2AHSD17B10TDP1
Water SCHEMBL11221867 0.67 TSHR (0.93) TSHRLMNAKMT2AHSD17B10TDP1
Selenium SCHEMBL30845448 0.67 TSHR (0.93) TSHRLMNAKMT2AHSD17B10TDP1
Ammonia Solution, Strong SCHEMBL8958644 0.67 TSHR (0.93) TSHRLMNAKMT2AHSD17B10TDP1

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-4474759-A Method of treating bacterial, viral or parasitic diseases PETROVICH VOJISLAV 1984-10-02 US disclosed