SCHEMBL10405201

SCHEMBL10405201

COc1cccc(C2=CC(=O)C=CC2=O)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.51
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
MCL1 Q07820 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BACE1 P56817 2/20 0.47
APAF1 O14727 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL25834322 0.86 MAPT (0.53) TOP1MAPTKDM4EMEN1PKM
SCHEMBL196440 0.74 MGAM (0.55) TOP1MAPTKDM4EMAPK1TDP1
SCHEMBL29241865 0.72 MAOA (0.64) MAPTKDM4EMEN1PKMMAPK1
SCHEMBL31189139 0.72 MAOA (0.64) MAPTKDM4EMEN1PKMMAPK1
SCHEMBL5455002 0.72 MAPK1 (0.57) MAPTKDM4EMEN1PKMMAPK1
SCHEMBL11332343 0.72 POLM (0.43) MAPTMEN1KMT2ABACE1LMNA
SCHEMBL21796070 0.71 PTPRC (0.47) MAPTKDM4EMEN1PKMMAPK1
SCHEMBL16674078 0.70 CA1 (0.55) MAPTKDM4EMAPK1TDP1ALDH1A1
SCHEMBL28580646 0.70 MAOA (0.52) TOP1MAPTKDM4EMEN1PKM
SCHEMBL11352814 0.70 MAPT (0.50) MAPTKDM4EMEN1PKMMAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4933489-A Process for the manufacture of 6-chloro-1,4-diacetoxy-2,3-dimethoxynaphthalene WARNER-LAMBERT COMPANY (US) 1990-06-12 US claimed
EP-0221474-B1 PROCESS FOR THE MANUFACTURE OF 6-CHLORO-1,4-DIACETOXY-2,3-DIMETHOXYNAPHTHALENE WARNER-LAMBERT COMPANY (US) 1990-01-17 EP claimed
EP-0221474-A1 Process for the manufacture of 6-chloro-1,4-diacetoxy-2,3-dimethoxynaphthalene WARNER-LAMBERT COMPANY (US) 1987-05-13 EP claimed
US-4933489-A Process for the manufacture of 6-chloro-1,4-diacetoxy-2,3-dimethoxynaphthalene WARNER-LAMBERT COMPANY (US) 1990-06-12 US disclosed
US-4933489-A Process for the manufacture of 6-chloro-1,4-diacetoxy-2,3-dimethoxynaphthalene WARNER-LAMBERT COMPANY (US) 1990-06-12 US disclosed
EP-0221474-B1 PROCESS FOR THE MANUFACTURE OF 6-CHLORO-1,4-DIACETOXY-2,3-DIMETHOXYNAPHTHALENE WARNER-LAMBERT COMPANY (US) 1990-01-17 EP disclosed
EP-0221474-A1 Process for the manufacture of 6-chloro-1,4-diacetoxy-2,3-dimethoxynaphthalene WARNER-LAMBERT COMPANY (US) 1987-05-13 EP disclosed