SCHEMBL7830779

SCHEMBL7830779

CCCCCCOc1cccc2c1C(=N)NC2(OC)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 6/20 0.42
MCHR1 Q99705 2/20 0.39
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TLR8 Q9NR97 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 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
SCHEMBL7826806 1.00 PRKCA (0.42) PRKCAMCHR1MEN1NR1I2LMNA
SCHEMBL7829948 0.95 CYP1A2 (0.40) PRKCAMCHR1TLR8CYP1A2CYP2C9
SCHEMBL7827488 0.91 MCHR1 (0.35) PRKCAMCHR1MAPTHTR2BTLR8
SCHEMBL7828606 0.90 PRKCA (0.40) PRKCAMCHR1MEN1NR1I2LMNA
SCHEMBL7827899 0.90 PRKCA (0.40) PRKCAMCHR1MEN1NR1I2LMNA
SCHEMBL7824104 0.86 PDK2 (0.43) MEN1MAPTKMT2ATSHRTP53
SCHEMBL7822891 0.84 CYP1A2 (0.38) PRKCAMCHR1TLR8CYP1A2CYP2C9
SCHEMBL7827943 0.82 PDE5A (0.39) MCHR1MEN1NR1I2LMNACHRM2
SCHEMBL7826408 0.82 PDE5A (0.39) MCHR1MEN1NR1I2LMNACHRM2
SCHEMBL8919749 0.80 PRKCA (0.43) PRKCAMCHR1MEN1NR1I2LMNA

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