SCHEMBL8057334

SCHEMBL8057334

ClCCOC=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
IDO1 P14902 2/20 0.39
RELA Q04206 1/20 0.37
TRPA1 O75762 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
NFE2L2 Q16236 1/20 0.35
CYP19A1 P11511 1/20 0.35
MAOA P21397 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPK1 P28482 1/20 0.35
PAM P19021 1/20 0.35
AKR1B10 O60218 1/20 0.35

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
SCHEMBL13686299 0.87 MAOB (0.48) MAOBIDO1RELATRPA1CHRNB4
SCHEMBL29113089 0.86 PPARA (0.41) MAOBIDO1RELACHRNB4CHRNA3
SCHEMBL10385527 0.83 MAOB (0.50) MAOBIDO1RELATRPA1MEN1
SCHEMBL25251262 0.79 MAOB (0.41) MAOBIDO1RELATRPA1CHRNB4
SCHEMBL2098848 0.79 RELA (0.46) MAOBIDO1RELATRPA1CHRNB4
SCHEMBL1891350 0.79 ALDH1A1 (0.43) MAOBIDO1RELATRPA1ALDH1A1
SCHEMBL13899910 0.78 MAOB (0.48) MAOBIDO1RELATRPA1MEN1
Hydrochloric Acid SCHEMBL9443690 0.78 IDO1 (0.46) MAOBIDO1RELAMEN1KMT2A
SCHEMBL21596611 0.78 AKR1B10 (0.53) MAOBIDO1LMNAAKR1B10AKR1B1
SCHEMBL8093709 0.78 MEN1 (0.50) MAOBIDO1RELATRPA1CHRNB4

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-0883652-B1 RADIATION CURABLE COATING COMPOSITION DSM NV (NL) 2000-03-15 EP disclosed
US-6025409-A COMPRISING (A) UNSATURATED COMPOUND HAVING AT LEAST ONE MALEATE, FUMERATE, ITACONATE, CITRACONATE OR MESACONATE GROUP; (B) AN UNSATURATED VINYLETHER COMPOUND AND A COMPOUND WHICH FORMS A STRONG EXCIPLEX WITH (A) OR (B); DSM N.V. (NL) 2000-02-15 US disclosed
EP-0883652-A1 RADIATION CURABLE COATING COMPOSITION DSM N.V. (NL) 1998-12-16 EP disclosed
WO-1997031981-A1 RADIATION CURABLE COATING COMPOSITION DSM N.V. (NL) 1997-09-04 WO disclosed