SCHEMBL6235783

SCHEMBL6235783

CCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.59
PSMD14 O00487 1/20 0.59
HSP90AA1 P07900 1/20 0.59
MMP2 P08253 1/20 0.59
MC4R P32245 1/20 0.59
RAD52 P43351 1/20 0.59
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
TP53 P04637 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTT P42858 5/20 0.56
CA2 P00918 1/20 0.41
S1PR3 Q99500 1/20 0.40
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 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
SCHEMBL6235268 1.00 DNM1 (0.59) DNM1PSMD14HSP90AA1MMP2MC4R
SCHEMBL6238093 1.00 DNM1 (0.59) DNM1PSMD14HSP90AA1MMP2MC4R
SCHEMBL6236064 1.00 DNM1 (0.59) DNM1PSMD14HSP90AA1MMP2MC4R
SCHEMBL331114 0.90 DNM1 (0.72) DNM1PSMD14HSP90AA1MMP2MC4R
SCHEMBL332022 0.90 DNM1 (0.72) DNM1PSMD14HSP90AA1MMP2MC4R
Benzododecinium SCHEMBL330680 0.90 DNM1 (0.72) DNM1PSMD14HSP90AA1MMP2MC4R
Cetalkonium SCHEMBL27537726 0.89 DNM1 (0.70) DNM1PSMD14HSP90AA1MMP2MC4R
SCHEMBL2150486 0.88 DNM1 (0.65) DNM1PSMD14HSP90AA1MMP2MC4R
Benzododecinium SCHEMBL2149522 0.88 DNM1 (0.65) DNM1PSMD14HSP90AA1MMP2MC4R
SCHEMBL2149596 0.88 DNM1 (0.65) DNM1PSMD14HSP90AA1MMP2MC4R

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
EP-0756633-B1 METHOD AND KITS FOR PROCESSING MYCOBACTERIA AND MYCOLIC ACID CONTAINING BACTERIA INTEGRATED RES TECHNOLOGY LLC (US) 2005-06-08 EP claimed
US-5658749-A DECREASING THE BUOYANCY OF MICROORGANISMS CONTAINING MYCOLIC ACID-LIKE STRUCTURES IN THE OUTER MEMBRANE USING A SOLUTION OF AN SB-18-LIKE OR ROD-LIKE DETERGENT; AMPHOTERIC SURFACTANTS; MEDICAL DIAGNOSIS; CULTURES; AMPLIFICATION CORNING CLINICAL LABORATORIES, INC. (US) 1997-08-19 US disclosed