SCHEMBL6324376

SCHEMBL6324376

CCCOP(=O)(OCCC)c1ccccc1NC(=O)NS(=O)(=O)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 10/20 0.43
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSPO P30536 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.35
FPR1 P21462 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TRPM4 Q8TD43 1/20 0.34

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
SCHEMBL6323916 0.94 MRGPRX1 (0.40) MRGPRX1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL6325457 0.92 MRGPRX1 (0.41) MRGPRX1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL7599829 0.86 KDM4E (0.41) MRGPRX1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL6331130 0.83 MRGPRX1 (0.41) MRGPRX1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL6326717 0.79 MRGPRX1 (0.42) MRGPRX1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL6325435 0.78 MEN1 (0.39) MRGPRX1KMT2AMEN1NPC1RAB9A
SCHEMBL6329861 0.75 KMT2A (0.39) MRGPRX1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL6324299 0.74 KMT2A (0.42) MRGPRX1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL6324447 0.73 KMT2A (0.40) MRGPRX1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL6321845 0.72 KDM4E (0.43) MRGPRX1KMT2AMEN1HTTSMN1; SMN2

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
US-6858565-B2 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2005-02-22 US disclosed
US-20030040434-A1 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2003-02-27 US disclosed
EP-1264707-A2 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2002-12-11 EP disclosed