SCHEMBL30935366

SCHEMBL30935366

CCCCCCCCCCCCc1ccccc1S(=O)(=O)O.CN(C)CCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.41
HTR6 P50406 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
METAP2 P50579 1/20 0.38
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
TLR8 Q9NR97 2/20 0.37
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36

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
SCHEMBL18262976 1.00 LIPG (0.41) LIPGHTR6CA12CA1CA2
Dymanthine SCHEMBL9841230 0.92 LIPG (0.45) LIPGHTR6METAP2THRATHRB
Tetradecylamine SCHEMBL5611485 0.90 LIPG (0.47) LIPGTHRATHRBTLR8BID
Butylamine SCHEMBL10621138 0.90 LIPG (0.47) LIPGTHRATHRBTLR8BID
Octadecylamine SCHEMBL9193903 0.90 LIPG (0.47) LIPGTHRATHRBTLR8BID
SCHEMBL337726 0.90 LIPG (0.47) LIPGTHRATHRBTLR8BID
Ethylenediamine SCHEMBL11480695 0.88 LIPG (0.49) LIPGMETAP2THRATHRBBID
Propylamine SCHEMBL14603925 0.88 LIPG (0.49) LIPGCA12THRATHRBBID
Ethylenediamine SCHEMBL5934066 0.88 LIPG (0.49) LIPGMETAP2THRATHRBBID
Ethylenediamine SCHEMBL11410416 0.88 LIPG (0.49) LIPGMETAP2THRATHRBBID

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
CN-118104649-A Emulsifying agent for decomposing clethodim emulsifiable concentrate and preparation method and application thereof 沧州鸿源农化有限公司 2024-05-31 CN disclosed