SCHEMBL5582502

SCHEMBL5582502

C[N+](C)(C)CC(O)C(=O)CCC(=O)C(O)C[N+](C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
SLC22A16 Q86VW1 1/20 0.44
TSHR P16473 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM1 P11229 2/20 0.38
TBXA2R P21731 1/20 0.38
LMNA P02545 2/20 0.37
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP2C9 P11712 1/20 0.37
GALR3 O60755 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
HRH1 P35367 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1984571 0.88 MAPT (0.40) MAPTSLC22A16TSHRLMNACYP2C9
SCHEMBL396149 0.88 MAPT (0.40) MAPTSLC22A16TSHRCHRM2CHRM4
Iodide SCHEMBL1157375 0.86 MAPT (0.39) MAPTSLC22A16TSHRCHRM2CHRM4
Water SCHEMBL15994022 0.86 MAPT (0.39) MAPTSLC22A16TSHRCHRM2CHRM4
Bromide SCHEMBL8614699 0.86 MAPT (0.39) MAPTSLC22A16TSHRCHRM2CHRM4
Hydrochloric Acid SCHEMBL19025641 0.86 MAPT (0.39) MAPTSLC22A16TSHRCHRM2CHRM4
Iodide SCHEMBL1980844 0.86 MAPT (0.39) MAPTSLC22A16TSHRLMNACYP2C9
Fluoride Ion SCHEMBL15993970 0.86 MAPT (0.39) MAPTSLC22A16TSHRCHRM2CHRM4
Hydrochloric Acid SCHEMBL316715 0.86 MAPT (0.43) MAPTSLC22A16LMNAGALR3BLM
SCHEMBL9631685 0.83 CES2 (0.48) MAPTTSHRLMNACYP2C9BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070172516-A1 Increasing of the resorption of substances via skin and mucous membranes PROCOM BIOTECHNOLOGISCHE PRODUKTIONS GMBH (DE) 2007-07-26 US disclosed
EP-1534315-A2 INCREASING OF THE RESORPTION OF SUBSTANCES VIA SKIN AND MUCOUS MEMBRANES PROCOM BIOTECHNOLOGISCHE PRODUKTION GMBH (DE) 2005-06-01 EP disclosed
WO-2004022657-A2 INCREASING OF THE RESORPTION OF SUBSTANCES VIA SKIN AND MUCOUS MEMBRANES PROCOM BIOTECHNOLOGISCHE PRODUKTIONS GMBH (DE) 2004-03-18 WO disclosed
EP-0572986-B1 Assay for serum cholinesterase JOHNSON & JOHNSON CLIN DIAG (US) 1996-08-28 EP disclosed
EP-0572986-A1 Assay for serum cholinesterase Johnson & Johnson Clinical Diagnostics, Inc. (US) 1993-12-08 EP disclosed
EP-0464388-A1 Detection assays having chromogenic and nonchromogenic, hypocromogenic, bathochromogenic or hypsochromogenic substrates TECHNICON INSTRUMENTS CORPORATION (a New York corporation) (US) 1992-01-08 EP disclosed