SCHEMBL8601015

SCHEMBL8601015

c1ccc(COc2ccccc2OC2CCCCO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
SGMS2 Q8NHU3 1/20 0.43
SLC6A4 P31645 3/20 0.43
HTR1A P08908 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCR5 P51681 1/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
DHFR P00374 1/20 0.41
DRD2 P14416 1/20 0.40
C5AR1 P21730 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
LIPE Q05469 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
SCHEMBL8601204 0.96 CCR5 (0.45) MEN1ALDH1A1KMT2ASGMS2SLC6A4
SCHEMBL27252708 0.85 MAPT (0.44) MEN1ALDH1A1KMT2ASGMS2SLC6A4
SCHEMBL772662 0.85 KDM4C (0.47) MEN1ALDH1A1KMT2ASGMS2SLC6A4
SCHEMBL30788461 0.84 KDM4C (0.41) MEN1KMT2ASLC6A3L3MBTL1DHFR
SCHEMBL6342508 0.84 KDM4C (0.41) MEN1KMT2ASLC6A3L3MBTL1DHFR
SCHEMBL10691066 0.84 DHFR (0.39) MEN1ALDH1A1KMT2ASGMS2SLC6A4
SCHEMBL8350940 0.84 MEN1 (0.50) MEN1ALDH1A1KMT2ASGMS2SLC6A4
SCHEMBL8601010 0.83 LMNA (0.46) MEN1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL7232880 0.82 HRH3 (0.51) MEN1ALDH1A1KMT2ASLC6A4HTR1A
SCHEMBL7772627 0.82 HRH3 (0.51) MEN1ALDH1A1KMT2ASLC6A4HTR1A

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