SCHEMBL6330227

SCHEMBL6330227

CC(C)COP(=O)(OCC(C)C)c1ccccc1NC(=O)NS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.36
SCN9A Q15858 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CXCL8 P10145 1/20 0.36
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
IDO1 P14902 1/20 0.34
HSD17B10 Q99714 3/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ANPEP P15144 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL6326462 0.76 MEN1 (0.40) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL6324683 0.75 CA1 (0.40) LMNAMAPTMEN1KMT2ACXCL8
SCHEMBL6324447 0.74 KMT2A (0.40) SCN9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL7030711 0.69 NLRP3 (0.36) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL6330219 0.69 MEN1 (0.36) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL6325457 0.69 MRGPRX1 (0.41) LMNAMAPTMEN1KMT2ATSHR
SCHEMBL13509003 0.68 NPC1 (0.58) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL6324376 0.68 MRGPRX1 (0.43) MEN1KMT2AALDH1A1NPSR1KDM4E
SCHEMBL6331130 0.67 MRGPRX1 (0.41) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL6323776 0.67 L3MBTL1 (0.42) LMNAMAPTMEN1KMT2AALDH1A1

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