SCHEMBL8621740

SCHEMBL8621740

COc1ccc(OC)c(-c2cc(-c3ccc(N(C)C)cc3)nc(-c3ccc(N(C)C)cc3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.49
APP P05067 4/20 0.48
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
DHFR P00374 1/20 0.45
ORAI1 Q96D31 1/20 0.45
PTGDR Q13258 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
TLR9 Q9NR96 2/20 0.43
TLR7 Q9NYK1 2/20 0.43
PGR P06401 1/20 0.43
USP2 O75604 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
SCHEMBL8616869 0.82 KDM4E (0.55) ADORA3APPGLAGAAPTGDR
SCHEMBL5710084 0.82 KDM4E (0.55) ADORA3APPGLAGAAPTGDR
SCHEMBL9695159 0.76 LTB4R (0.50) ADORA3GLAGAAALDH1A1HSD17B10
SCHEMBL29899709 0.75 CA12 (0.60) DHFRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL8622692 0.74 PDGFRB (0.48) ADORA3GLAGAAALDH1A1HSD17B10
SCHEMBL8618775 0.73 MAPT (0.54) APPALDH1A1HSD17B10KDM4EMAPT
SCHEMBL6163752 0.73 KDM4E (0.60) DHFRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL7563700 0.72 TUBB4A (0.51) ADORA3ALDH1A1MAPTLMNAPDGFRB
SCHEMBL2162844 0.72 APP (0.57) APPGLAGAAALDH1A1HSD17B10
SCHEMBL14512991 0.71 PGR (0.60) APPALDH1A1HSD17B10KDM4EHPGD

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 8 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
EP-0061128-B1 PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND SYSTEMS CONTAINING THEM STERLING DRUG INC. (US) 1985-09-04 EP disclosed
US-4446321-A COLOR FORMERS, CARBON-FREE DUPLICATION STERLING DRUG INC. (US) 1984-05-01 US disclosed
US-4363503-A FOR PRESSURE SENSITIVE CARBONLESS DUPLICATING AND THERMAL MARKING SYSTEMS STERLING DRUG INC. (US) 1982-12-14 US disclosed
EP-0061128-A1 Pyridine compounds, process for their preparation and systems containing them STERLING DRUG INC. (US) 1982-09-29 EP disclosed