SCHEMBL7828606

SCHEMBL7828606

CCCCCCOc1cccc2c1C(=N)NC2(OCC)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 6/20 0.40
MCHR1 Q99705 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
NR1I2 O75469 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TLR8 Q9NR97 2/20 0.34
PDK2 Q15119 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7827899 1.00 PRKCA (0.40) PRKCAMCHR1MEN1KMT2ALMNA
SCHEMBL7822891 0.95 CYP1A2 (0.38) PRKCAMCHR1L3MBTL1TLR8PDK2
SCHEMBL7827247 0.91 PDK2 (0.36) PRKCAMCHR1MAPTL3MBTL1TLR8
SCHEMBL7830779 0.90 PRKCA (0.42) PRKCAMCHR1MEN1KMT2ALMNA
SCHEMBL7826806 0.90 PRKCA (0.42) PRKCAMCHR1MEN1KMT2ALMNA
SCHEMBL7823732 0.88 PDK2 (0.42) MEN1KMT2AMAPTL3MBTL1PDK2
SCHEMBL7829948 0.84 CYP1A2 (0.40) PRKCAMCHR1TLR8PDK2CYP2C9
SCHEMBL7827148 0.81 PDK2 (0.35) KMT2APDK2SMN1; SMN2HSD17B10
SCHEMBL7815432 0.81 PDE5A (0.38) PRKCAMCHR1MEN1KMT2ALMNA
SCHEMBL7825435 0.81 PDE5A (0.38) PRKCAMCHR1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679640-B1 Carboxylate and heat-sensitive recording material using same MITSUI CHEMICALS INC (JP) 2001-08-08 EP disclosed
US-5691272-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-11-25 US disclosed
US-5559247-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1996-09-24 US disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP disclosed