Phenol

Phenol

SCHEMBL8668193

C(C=Cc1ccccc1)=Cc1ccccc1.C[Ti](C)(C)(C)(C)C1=CC=CC1.Oc1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
APP P05067 1/20 0.38
CYP3A4 P08684 3/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX5 P09917 2/20 0.33
TDP1 Q9NUW8 2/20 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
Dimethylamine SCHEMBL8664994 0.88 MAOB (0.44) MAOBAPPCYP3A4HDAC3HDAC4
Phenol SCHEMBL6753430 0.87 CA12 (0.42) CYP3A4ALDH1A1TDP1ESR1CA12
Phenol SCHEMBL1743773 0.75 MAOB (0.74) MAOBAPPCYP3A4HDAC3HDAC4
Methyl Alcohol SCHEMBL8040458 0.71
Methyl Alcohol SCHEMBL6933935 0.71
Methyl Alcohol SCHEMBL8419067 0.71
SCHEMBL140408 0.71
Benzenethiol SCHEMBL5888433 0.71
SCHEMBL7941889 0.70 MAOB (0.44) MAOBAPPCYP3A4HDAC3HDAC4
SCHEMBL13359845 0.69 APP (0.76) MAOBAPPCYP3A4HDAC3HDAC4

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 3 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
US-5543480-A USING GROUP 4 METAL COMPLEXES CONTAINING A DIENE MOIETY THE DOW CHEMICAL COMPANY (US) 1996-08-06 US disclosed