Phenol

Phenol

SCHEMBL8667726

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

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 2/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 1/20 0.35
CA1 P00915 1/20 0.35
NFE2L2 Q16236 3/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
FBP1 P09467 1/20 0.33
CYP1B1 Q16678 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
FGF23 Q9GZV9 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
SCHEMBL8666416 0.82 NFE2L2 (0.38) MAPTCYP3A4CA1NFE2L2FBP1
SCHEMBL8667080 0.82 MAOB (0.54) MAOBALDH1A1MAPTCYP3A4NFE2L2
Phenol SCHEMBL8668774 0.81 MAPT (0.40) MAOBALDH1A1MAPTHPGDCYP3A4
SCHEMBL11802933 0.78 NFE2L2 (0.50) MAOBMAPTCYP3A4CA1NFE2L2
SCHEMBL11801649 0.78 NFE2L2 (0.50) MAOBMAPTCYP3A4CA1NFE2L2
SCHEMBL8667288 0.77 MAOB (0.52) MAOBALDH1A1MAPTCYP3A4NFE2L2
Phenol SCHEMBL8664996 0.75 MAPT (0.37) MAOBALDH1A1MAPTHPGDCYP3A4
Phenol SCHEMBL8666387 0.74 MAOB (0.34) MAOBALDH1A1MAPTHPGDCYP3A4
SCHEMBL23458019 0.74 MAOB (0.70) MAOBALDH1A1MAPTHPGDCYP3A4
SCHEMBL11544219 0.74 MAOB (0.70) MAOBALDH1A1MAPTHPGDCYP3A4

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