SCHEMBL8619946

SCHEMBL8619946

CCCCCCCCOc1ccc(N(C)c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.48
ATP4A P20648 7/20 0.47
ATP4B P51164 7/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLA2G2A P14555 1/20 0.45
HTT P42858 1/20 0.43
LTB4R Q15722 1/20 0.43

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
SCHEMBL14801927 0.81 CYP2D6 (0.57) LTA4HATP4AATP4BCYP1A2CYP2D6
SCHEMBL14802124 0.81 LTA4H (0.53) LTA4HATP4AATP4BCYP1A2CYP2D6
SCHEMBL16706016 0.81 NR5A1 (0.61) LTA4HKDM4EALDH1A1NPC1MAPT
SCHEMBL533717 0.81 NR5A1 (0.61) LTA4HKDM4EALDH1A1NPC1MAPT
SCHEMBL21988539 0.78 CYP2D6 (0.65) LTA4HATP4AATP4BCYP1A2CYP2D6
SCHEMBL14805199 0.78 CYP2D6 (0.65) LTA4HATP4AATP4BCYP1A2CYP2D6
SCHEMBL8619943 0.76 CYP1A2 (0.48) LTA4HATP4AATP4BCYP1A2CYP2D6
SCHEMBL5710034 0.75 CYP2D6 (0.50) ATP4AATP4BCYP1A2CYP2D6CYP19A1
SCHEMBL31229476 0.75 LTA4H (0.66) LTA4HALDH1A1SMN1; SMN2HTT
SCHEMBL18421095 0.75 LTA4H (0.66) LTA4HALDH1A1SMN1; SMN2HTT

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