SCHEMBL13849634

SCHEMBL13849634

C=CC(=O)OCCOC(=O)CCOC(=O)CCCCCCCCC(CCCCCCCC)C(CCCCCCCC)CCCCCCCCC(=O)NCCNC(=O)CCCCCCCCC(CCCCCCCC)C(CCCCCCCC)CCCCCCCCC(=O)OCCOc1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 10/20 0.40
CNR1 P21554 10/20 0.40
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL838287 0.97 MAPT (0.43) MAPTSMN1; SMN2CNR2CNR1HRH2
SCHEMBL4570248 0.97 MAPT (0.43) MAPTSMN1; SMN2CNR2CNR1HRH2
SCHEMBL16687522 0.96 MAPT (0.43) MAPTSMN1; SMN2CNR2CNR1HRH2
SCHEMBL838460 0.92 MAPT (0.50) MAPTSMN1; SMN2CNR2CNR1HRH2
SCHEMBL19442755 0.91 MAPT (0.39) MAPTSMN1; SMN2CNR2CNR1HRH2
SCHEMBL16746639 0.89 MAPT (0.48) MAPTSMN1; SMN2CNR2CNR1HRH2
SCHEMBL838090 0.89 MAPT (0.55) MAPTSMN1; SMN2CNR2CNR1HRH2
SCHEMBL4570247 0.89 MAPT (0.48) MAPTSMN1; SMN2CNR2CNR1HRH2
SCHEMBL13182760 0.88 MAPT (0.47) MAPTSMN1; SMN2CNR2CNR1HRH2
SCHEMBL13427328 0.88 MAPT (0.47) MAPTSMN1; SMN2CNR2CNR1HRH2

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
US-7531582-B2 Radiation curable phase change inks containing curable epoxy-polyamide composite gellants XEROX CORPORATION (US) 2009-05-12 US disclosed
US-20080122914-A1 RADIATION CURABLE PHASE CHANGE INKS CONTAINING CURABLE EPOXY-POLYAMIDE COMPOSITE GELLANTS XEROX CORPORATION (US) 2008-05-29 US disclosed