SCHEMBL9137690

SCHEMBL9137690

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
CETP P11597 2/20 0.47
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.43
TSHR P16473 2/20 0.43
PLK1 P53350 2/20 0.43
PTPN11 Q06124 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL9460046 1.00 POLB (0.61) POLBCETPCA12CA9CA1
Tetrahexylammonium SCHEMBL9132753 1.00 POLB (0.61) POLBCETPCA12CA9CA1
SCHEMBL9460813 1.00 POLB (0.61) POLBCETPCA12CA9CA1
SCHEMBL9134368 1.00 POLB (0.61) POLBCETPCA12CA9CA1
SCHEMBL9460259 1.00 POLB (0.61) POLBCETPCA12CA9CA1
Tetrahexylammonium SCHEMBL9134129 1.00 POLB (0.61) POLBCETPCA12CA9CA1
SCHEMBL9133256 1.00 POLB (0.61) POLBCETPCA12CA9CA1
SCHEMBL9132732 1.00 POLB (0.61) POLBCETPCA12CA9CA1
Tetrapentylammonium SCHEMBL9133465 0.98 POLB (0.62) POLBCETPCA12CA9CA1
Tetrapentylammonium SCHEMBL9134525 0.98 POLB (0.62) POLBCETPCA12CA9CA1

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