Tetrylammonium

Tetrylammonium

SCHEMBL9134686

CC[N+](CC)(CC)CC.O=C([O-])c1ccccc1S(=O)(=O)c1ccccc1C(=O)O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.48
CA9 Q16790 6/20 0.48
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.45
MMP1 P03956 2/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
MMP13 P45452 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
F2 P00734 3/20 0.41
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
FABP4 P15090 2/20 0.39
FABP3 P05413 1/20 0.39
FABP5 Q01469 1/20 0.39
MMP3 P08254 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
Tetrylammonium SCHEMBL9134593 0.94 POLB (0.39) CA12CA9TSHRSMN1; SMN2POLB
Tetrylammonium SCHEMBL9134596 0.92 CA12 (0.54) CA12CA9TSHRSMN1; SMN2POLB
Tetrylammonium SCHEMBL9134689 0.92 CA12 (0.54) CA12CA9TSHRSMN1; SMN2POLB
SCHEMBL9136103 0.91 TSHR (0.47) CA12CA9TSHRSMN1; SMN2POLB
Tetrapropylammonium SCHEMBL9133472 0.89 CA12 (0.49) CA12CA9TSHRSMN1; SMN2POLB
Tetramethylammonium Ion SCHEMBL9133644 0.88 POLB (0.49) CA12CA9TSHRSMN1; SMN2POLB
Tetrabuthylammonium SCHEMBL9133507 0.86 CA12 (0.53) CA12CA9TSHRSMN1; SMN2POLB
SCHEMBL9134304 0.86 TSHR (0.43) CA12CA9TSHRSMN1; SMN2POLB
Phthalic Acid SCHEMBL2452643 0.82 ALDH1A1 (0.52) CA12CA9SMN1; SMN2POLBCA1
Phthalic Acid SCHEMBL8014902 0.82 ALDH1A1 (0.52) CA12CA9SMN1; SMN2POLBCA1

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-5378571-A Toners for electrography HOECHST AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed