Phenol

Phenol

SCHEMBL8664996

CC(C)=CC(C)=C[Ti+3].Cc1ccc(C=CC=Cc2ccc(C)cc2)cc1.[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
ALDH1A1 P00352 5/20 0.37
CYP3A4 P08684 2/20 0.37
HPGD P15428 1/20 0.37
CA1 P00915 1/20 0.36
MAOB P27338 1/20 0.35
FOS P01100 1/20 0.35
JUN P05412 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1B1 Q16678 1/20 0.34
POLB P06746 3/20 0.33
FGF23 Q9GZV9 1/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 2/20 0.33
RAB9A P51151 2/20 0.33
PLIN1 O60240 1/20 0.33

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
SCHEMBL8668216 0.84 CA1 (0.37) MAPTALDH1A1CYP3A4HPGDCA1
SCHEMBL8666313 0.84 MAOB (0.48) MAPTALDH1A1CYP3A4MAOBPOLB
Phenol SCHEMBL8668774 0.81 MAPT (0.40) MAPTALDH1A1CYP3A4HPGDCA1
SCHEMBL8669310 0.79 MAOB (0.47) MAPTALDH1A1CYP3A4MAOBPOLB
Phenol SCHEMBL8667726 0.75 MAOB (0.38) MAPTALDH1A1CYP3A4HPGDCA1
Phenol SCHEMBL8666375 0.75
Phenol SCHEMBL8666387 0.71 MAOB (0.34) MAPTALDH1A1CYP3A4HPGDCA1
SCHEMBL23458020 0.71 MAOB (0.70) MAPTALDH1A1CYP3A4HPGDMAOB
SCHEMBL23458019 0.71 MAOB (0.70) MAPTALDH1A1CYP3A4HPGDMAOB
SCHEMBL11544219 0.71 MAOB (0.70) MAPTALDH1A1CYP3A4HPGDMAOB

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
EP-0767804-B1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS DOW CHEMICAL CO (US) 1998-12-09 EP disclosed
US-5646084-A OLEFIN POLYMERIZATION USING TITANIUM COMPLEX CATALYST AND ACTIVATING COCATALYST THE DOW CHEMICAL COMPANY (US) 1997-07-08 US disclosed
EP-0767804-A1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS THE DOW CHEMICAL COMPANY (US) 1997-04-16 EP disclosed
US-5543480-A USING GROUP 4 METAL COMPLEXES CONTAINING A DIENE MOIETY THE DOW CHEMICAL COMPANY (US) 1996-08-06 US disclosed
WO-1996000742-A1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS THE DOW CHEMICAL COMPANY (US) 1996-01-11 WO disclosed