SCHEMBL6236747

SCHEMBL6236747

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 3/20 0.41
SLC22A16 Q86VW1 1/20 0.41
CYP3A4 P08684 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 3/20 0.36
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
TBXA2R P21731 1/20 0.35
LMNA P02545 2/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP2C9 P11712 1/20 0.34
GALR3 O60755 1/20 0.34
BLM P54132 1/20 0.34
LPAR5 Q9H1C0 2/20 0.34
LPAR6 P43657 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR4 Q99677 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 0.84 LPAR5 (0.49) SMN1; SMN2MAPTSLC22A16LPAR5LPAR6
SCHEMBL6236753 0.80 SMN1; SMN2 (0.49) SMN1; SMN2MAPTSLC22A16TSHRCHRM2
Ethylene Glycol SCHEMBL8891682 0.79 LPAR5 (0.45) SMN1; SMN2MAPTSLC22A16LPAR5LPAR6
Glycerin SCHEMBL8890733 0.77 SMN1; SMN2 (0.50) SMN1; SMN2SLC22A16LPAR5LPAR6LPAR1
SCHEMBL23199737 0.77 SMN1; SMN2 (0.71) SMN1; SMN2MAPTTSHRCHRM2CHRM4
SCHEMBL27216330 0.76 SMN1; SMN2 (0.36) SMN1; SMN2CYP3A4L3MBTL1LPAR5MEN1
SCHEMBL2918083 0.75 SMN1; SMN2 (0.47) SMN1; SMN2CYP3A4L3MBTL1TSHRLMNA
SCHEMBL7216980 0.73 ALDH1A1 (0.40) SMN1; SMN2CYP3A4L3MBTL1TSHRLPAR5
SCHEMBL7157943 0.72 TSHR (0.41) SMN1; SMN2MAPTCYP3A4L3MBTL1TSHR
SCHEMBL1662067 0.71 TSHR (0.54) SMN1; SMN2CYP3A4L3MBTL1TSHRLMNA

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