SCHEMBL6323916

SCHEMBL6323916

CCCCOP(=O)(OCCCC)c1ccccc1NC(=O)NS(=O)(=O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 8/20 0.40
KMT2A Q03164 3/20 0.38
SCN9A Q15858 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.35
TSPO P30536 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCL1 Q07820 1/20 0.34
MMP1 P03956 1/20 0.34
MMP7 P09237 1/20 0.34
MMP12 P39900 1/20 0.34
ECE1 P42892 1/20 0.34
MMP13 P45452 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL6324376 0.94 MRGPRX1 (0.43) MRGPRX1KMT2APOLBMEN1TSPO
SCHEMBL6325457 0.90 MRGPRX1 (0.41) MRGPRX1KMT2APOLBMEN1TSPO
SCHEMBL7599829 0.84 KDM4E (0.41) MRGPRX1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL6331130 0.81 MRGPRX1 (0.41) MRGPRX1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL6329861 0.80 KMT2A (0.39) MRGPRX1KMT2ASCN9AMEN1HTT
SCHEMBL6325435 0.77 MEN1 (0.39) MRGPRX1KMT2AMEN1ALDH1A1
SCHEMBL6326717 0.75 MRGPRX1 (0.42) MRGPRX1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL6324299 0.72 KMT2A (0.42) MRGPRX1KMT2APOLBMEN1TSPO
SCHEMBL6324447 0.71 KMT2A (0.40) MRGPRX1KMT2ASCN9AMEN1HTT
SCHEMBL6321845 0.71 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