SCHEMBL8601204

SCHEMBL8601204

c1ccc(COc2ccccc2OC2CCCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.45
SLC6A4 P31645 5/20 0.43
HTR1A P08908 4/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
DRD2 P14416 1/20 0.41
LIPE Q05469 1/20 0.40
ADRA1D P25100 1/20 0.39

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
SCHEMBL8601015 0.96 MEN1 (0.44) CCR5SLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL8601201 0.82 LMNA (0.47) SLC6A2SLC6A3MAPTL3MBTL1GAA
SCHEMBL27252708 0.81 MAPT (0.44) CCR5SLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL772662 0.81 KDM4C (0.47) CCR5SLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL10691066 0.80 DHFR (0.39) CCR5SLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL8350940 0.80 MEN1 (0.50) CCR5SLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL30788461 0.79 KDM4C (0.41) SLC6A3L3MBTL1MEN1KMT2AGAA
SCHEMBL6342508 0.79 KDM4C (0.41) SLC6A3L3MBTL1MEN1KMT2AGAA
SCHEMBL19970746 0.78 ALDH1A1 (0.40) MAPTTDP1L3MBTL1MEN1ALDH1A1
SCHEMBL8601010 0.78 LMNA (0.46) SLC6A2SLC6A3MAPTL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811593-A MADE BY REACTING HYDROQUINONE MONOETHER WITH ENOL ETHER IN PRESENCE OF ACID CATALYST, REACTING PRODUCT WITH HYDROGEN TRANSFER AGENT IN PRESENCE OF METAL CATALYST TO CLEAVE PROTECTING GROUP THE PROCTER & GAMBLE COMPANY (US) 1998-09-22 US disclosed
EP-0748306-A1 PROCESS FOR MAKING MONOACETALS OF HYDROQUINONE THE PROCTER & GAMBLE COMPANY (US) 1996-12-18 EP disclosed
US-5585525-A Process for making monoacetals of hydroquinone THE PROCTER & GAMBLE COMPANY (US) 1996-12-17 US disclosed
WO-1995023779-A2 PROCESS FOR MAKING MONOACETALS OF HYDROQUINONE THE PROCTER & GAMBLE COMPANY (US) 1995-09-08 WO disclosed
WO-1995023778-A2 PROCESS FOR MAKING MONOACETALS OF HYDROQUINONE THE PROCTER & GAMBLE COMPANY (US) 1995-09-08 WO disclosed