Tetrapropylammonium

Tetrapropylammonium

SCHEMBL9130677

CCC[N+](CCC)(CCC)CCC.O=C(O)c1ccccc1SSc1ccccc1C(=O)O

nearest known ligand 0.67

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.67
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CYP1A2 P05177 1/20 0.49
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.43
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40
CETP P11597 1/20 0.40

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
Tetrapropylammonium SCHEMBL9133936 1.00 POLB (0.67) POLBCA12CA1CA2CA4
Tetrabuthylammonium SCHEMBL9131764 0.90 POLB (0.62) POLBCA12CA1CA2CA4
Tetrapentylammonium SCHEMBL9134525 0.90 POLB (0.62) POLBCA12CA1CA2CA4
Tetrabuthylammonium SCHEMBL9136707 0.90 POLB (0.62) POLBCA12CA1CA2CA4
Tetrapentylammonium SCHEMBL9133465 0.90 POLB (0.62) POLBCA12CA1CA2CA4
Tetrapropylammonium SCHEMBL9459969 0.90 KDM4E (0.52) POLBCA12CA1CA2CA4
Tetrapropylammonium SCHEMBL9460675 0.90 KDM4E (0.52) POLBCA12CA1CA2CA4
Tetrahexylammonium SCHEMBL9134129 0.89 POLB (0.61) POLBCA12CA1CA2CA4
SCHEMBL9137690 0.89 POLB (0.61) POLBCA12CA1CA2CA4
SCHEMBL9132732 0.89 POLB (0.61) POLBCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378571-A Toners for electrography HOECHST AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
US-5274184-A Aryl sulphide, aryl sulphoxide and aryl sulphone compounds CASSELLA AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed