SCHEMBL8922200

SCHEMBL8922200

CCCCCCOc1ccc2c(c1)C(=N)NC21CCCOO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.35
PTPN11 Q06124 4/20 0.35
LTA4H P09960 1/20 0.34
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTPN1 P18031 1/20 0.33
NR5A1 Q13285 1/20 0.33
TSHR P16473 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
SPHK1 Q9NYA1 2/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL8920247 1.00 PDK2 (0.35) PDK2PTPN11LTA4HTHRATHRB
SCHEMBL8918753 0.92 PDK2 (0.40) PDK2PTPN11LTA4HTHRATHRB
SCHEMBL8921504 0.92 PDK2 (0.40) PDK2PTPN11LTA4HTHRATHRB
SCHEMBL8920391 0.88 CYP3A4 (0.36) PDK2MEN1ALDH1A1GAAMAPT
SCHEMBL8918878 0.82 PDE7A (0.36) PDK2ALDH1A1PDE3BPDE3A
SCHEMBL8920555 0.79 PDK2 (0.34) PDK2MEN1ALDH1A1KMT2ALMNA
SCHEMBL8921438 0.78 PDK2 (0.39) PDK2PTPN11LTA4HTHRATHRB
SCHEMBL8920255 0.78 PDE5A (0.33) PTPN11MEN1MAPTKMT2ALMNA
SCHEMBL8921238 0.77 PRKCA (0.38) MEN1MAPTKMT2ALMNA
SCHEMBL7827204 0.75 PDK2 (0.42) PDK2PTPN11MEN1NPC1ALDH1A1

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-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