SCHEMBL6695613

SCHEMBL6695613

O=C(c1ccccc1)C1(O)CCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.46
FASN P49327 2/20 0.44
AKR1C1 Q04828 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.42
DAO P14920 1/20 0.41
TSHR P16473 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD11B1 P28845 1/20 0.41
ADRB2 P07550 1/20 0.40

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
SCHEMBL27279 1.00 HDAC4 (0.46) HDAC4FASNAKR1C1KMT2AMEN1
Benzene SCHEMBL29067363 1.00 HDAC4 (0.46) HDAC4FASNAKR1C1KMT2AMEN1
SCHEMBL28231289 1.00 HDAC4 (0.46) HDAC4FASNAKR1C1KMT2AMEN1
Water SCHEMBL29044078 0.98 HDAC4 (0.44) HDAC4FASNAKR1C1KMT2AMEN1
SCHEMBL6692163 0.98 AKR1C1 (0.45) HDAC4FASNAKR1C1KMT2AMEN1
Methyl Alcohol SCHEMBL28651962 0.96 KDM4E (0.44) HDAC4FASNAKR1C1KMT2AMEN1
SCHEMBL28095639 0.96 KDM4E (0.44) HDAC4FASNAKR1C1KMT2AMEN1
Acetone SCHEMBL8418701 0.94 KDM4E (0.43) HDAC4FASNAKR1C1KMT2AMEN1
Benzophenone SCHEMBL451083 0.94 ALDH1A1 (0.52) HDAC4FASNAKR1C1KMT2AMEN1
Urea SCHEMBL28321664 0.94 POLB (0.43) HDAC4FASNAKR1C1KMT2AMEN1

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
US-20040077744-A1 Irradiation polymerization of acrylamide and/or monomer blends in the presence of photoinintiators, to form water soluble polymers used as flocculants, flow control agents, coagulants, dispersants, superabsorbents or binders CIBA SPECIALTY CHEMICALS WATER TREATMENTS LIMITED (GB) 2004-04-22 US disclosed
EP-1368382-A1 POLYMERISATION PROCESS Ciba Specialty Chemicals Water Treatments Limited (GB) 2003-12-10 EP disclosed
WO-2002066520-A1 POLYMERISATION PROCESS CIBA SPECIALTY CHEMICALS WATER TREATMENTS LIMITED (GB) 2002-08-29 WO disclosed
US-4547394-A PHOTOINITIATORS FOR PHOTOPOLYMERIZATION MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-10-15 US disclosed