Phenol

Phenol

SCHEMBL6136311

C=C(C)C(=O)OCC.Oc1ccccc1.Oc1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
THRB P10828 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
GAA P10253 4/20 0.45
CASP1 P29466 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ELANE P08246 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP19A1 P11511 1/20 0.41

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
Phenol SCHEMBL6751269 1.00 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL28565698 0.90 MAPT (0.50) ALDH1A1MAPTMEN1KMT2ACA12
Catechol SCHEMBL27564074 0.87 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2ACA12
Biphenyl SCHEMBL27587021 0.87 MAPT (0.57) ALDH1A1MAPTMEN1KMT2ATHRB
Benzene SCHEMBL7154663 0.87 THRB (0.57) ALDH1A1MAPTMEN1KMT2ATHRB
Benzene SCHEMBL29271689 0.87 THRB (0.57) ALDH1A1MAPTMEN1KMT2ATHRB
Phenol SCHEMBL6136544 0.86 SMN1; SMN2 (0.53) ALDH1A1MAPTTHRBESR1GAA
Naphthalene SCHEMBL27457568 0.85 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ATHRB
Paraben SCHEMBL5143614 0.85 TDP1 (0.55) ALDH1A1MAPTCA12CA1CA2
Benzene SCHEMBL27634575 0.85 THRB (0.55) ALDH1A1MAPTMEN1KMT2ATHRB

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
EP-0857468-B1 Machine for the manufacturing of a dental prosthesis using a composite support shell BILLET GILLES (FR) 2005-06-29 EP disclosed
US-6635691-B2 Containing filler and a polymerizable matrix IVOCLAR VIVADENT AG (LI) 2003-10-21 US disclosed
US-20020040075-A1 Dental material containing a component which contracts during thermal treatment IVOCLAR VIVADENT AG. 2002-04-04 US disclosed
EP-0857468-A1 Machine for the manufacturing of a dental prosthesis using a composite support shell Billet, Gilles (FR) 1998-08-12 EP disclosed