SCHEMBL6841763

SCHEMBL6841763

CN(C)CCC(C)(C)CCO

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL24383549 0.85 MAPT (0.43) MAPTHTR1ADRD2HTR2AHTR7
SCHEMBL6847411 0.81 MAPT (0.43) MAPTSMN1; SMN2HTR1ADRD2HTR2A
SCHEMBL37771 0.80
SCHEMBL27424910 0.76 DNM1 (0.38) MAPTSMN1; SMN2HTR1ADRD2HTR2A
SCHEMBL17030310 0.76 HTR1A (0.35) MAPTSMN1; SMN2HTR1ADRD2HTR2A
SCHEMBL16256528 0.72 DRD2 (0.36) MAPTSMN1; SMN2HTR1ADRD2HTR2A
SCHEMBL23192219 0.72 DNM1 (0.46) HTR1ADRD2HTR2AHTR7ALDH1A1
SCHEMBL25338853 0.72 FFAR1 (0.31) TDP1
SCHEMBL9621390 0.70 MAPT (0.43) MAPTSMN1; SMN2HTR1ADRD2HTR2A
SCHEMBL18487700 0.70 FFAR1 (0.30) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1197890-C Process for producing polyurethane KAO CORP (JP) 2005-04-20 CN disclosed
US-6767929-B2 CATALYSIS USING DIALKYLAMINOALKYL ALCOHOL KAO CORPORATION (JP) 2004-07-27 US disclosed
CN-1433437-A Process for producing polyurethane KAO CORP (JP) 2003-07-30 CN disclosed
EP-1270630-A1 PROCESS FOR PRODUCING POLYURETHANE Kao Corporation (JP) 2003-01-02 EP disclosed
US-20030004220-A1 Process for producing polyurethane KAO CORPORATION (JP) 2003-01-02 US disclosed