SCHEMBL6236753

SCHEMBL6236753

C[N+](C)(C)CC(O)COP(=O)([O-])O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
SLC22A16 Q86VW1 1/20 0.42
MAPT P10636 2/20 0.38
LPAR5 Q9H1C0 2/20 0.35
LPAR6 P43657 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR4 Q99677 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
ENPP2 Q13822 1/20 0.33
TSHR P16473 2/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
TBXA2R P21731 1/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
HRH1 P35367 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
SCHEMBL6236749 0.83 LPAR5 (0.49) SMN1; SMN2SLC22A16MAPTLPAR5LPAR6
SCHEMBL8882009 0.82 SMN1; SMN2 (0.45) SMN1; SMN2LPAR5
SCHEMBL8884338 0.82 SMN1; SMN2 (0.45) SMN1; SMN2LPAR5
Choline SCHEMBL6017026 0.81 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2ALMNABLM
SCHEMBL6236747 0.80 SMN1; SMN2 (0.44) SMN1; SMN2SLC22A16MAPTLPAR5LPAR6
Ethylene Glycol SCHEMBL8891682 0.78 LPAR5 (0.45) SMN1; SMN2SLC22A16MAPTLPAR5LPAR6
Silver SCHEMBL28897421 0.77 SMN1; SMN2 (0.50) SMN1; SMN2LPAR5LPAR6LPAR1LPAR4
SCHEMBL29416871 0.77 SMN1; SMN2 (0.50) SMN1; SMN2LPAR5LPAR6LPAR1LPAR4
SCHEMBL27446597 0.77 SMN1; SMN2 (0.50) SMN1; SMN2LPAR5LPAR6LPAR1LPAR4
Glycerin SCHEMBL8890733 0.76 SMN1; SMN2 (0.50) SMN1; SMN2SLC22A16LPAR5LPAR6LPAR1

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 3 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 disclosed
US-6004771-A EXTRACTED MYCOBACTERIAL SAMPLE IS SUITABLE FOR DETECTION BY CULTURE AND AMPLIFICATION INTEGRATED RESEARCH TECHNOLOGY, LLC (US) 1999-12-21 US disclosed
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