SCHEMBL8622002

SCHEMBL8622002

CCCOc1ccccc1-c1cc(-c2ccc(N(C)C)cc2)cc(-c2ccccc2OCCC)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.47
PDE5A O76074 3/20 0.44
ABL1 P00519 1/20 0.41
TLR8 Q9NR97 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
HTR7 P34969 1/20 0.40
GCGR P47871 1/20 0.39
MAPK14 Q16539 1/20 0.39
APP P05067 4/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL3741857 0.94 LTB4R (0.48) LTB4RPDE5ATLR8PDE4APDE4B
SCHEMBL8621984 0.93 LTB4R (0.50) LTB4RPDE5ATLR8PDE4APDE4B
SCHEMBL8621067 0.91 LTB4R (0.52) LTB4RPDE5ATLR8PDE4APDE4B
SCHEMBL8615810 0.91 LTB4R (0.52) LTB4RPDE5ATLR8PDE4APDE4B
SCHEMBL8617052 0.91 LTB4R (0.52) LTB4RPDE5ATLR8PDE4APDE4B
SCHEMBL29429991 0.91 LTB4R (0.52) LTB4RPDE5ATLR8PDE4APDE4B
SCHEMBL29430001 0.90 ENPP1 (0.46) LTB4RMAOBMAOAPDGFRBPDGFRA
SCHEMBL967279 0.90 ENPP1 (0.46) LTB4RMAOBMAOAPDGFRBPDGFRA
SCHEMBL17255105 0.89 LTB4R (0.55) LTB4RTLR8HTR7MAOBMAOA
SCHEMBL29430028 0.89 LTB4R (0.55) LTB4RTLR8HTR7MAOBMAOA

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
WO-2023085225-A1 METHOD FOR MANUFACTURING RECYCLED RESIN COMPOSITION 住友化学株式会社 2023-05-19 WO disclosed
EP-0659582-B1 Reversible thermochromic composition PILOT INK CO LTD (JP) 1998-05-13 EP disclosed
US-5558700-A QUINAZOLENE OR PYRIDINE ELECTRON DONOR, ELECTRON ACCEPTOR THE PILOT INK CO., LTD. (JP) 1996-09-24 US disclosed
EP-0659582-A1 Reversible thermochromic composition THE PILOT INK CO., LTD. (JP) 1995-06-28 EP disclosed