Phenol

Phenol

SCHEMBL7708938

CCOC(=O)NOC(C)=O.Oc1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MIF P14174 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ESR1 P03372 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL179862 0.82 ALDH1A1 (0.52) GAAKDM4EALDH1A1LMNAMAPT
Phenol SCHEMBL7702440 0.81 ALDH1A1 (0.59) GAANPC1ALDH1A1LMNAMAPT
SCHEMBL1947879 0.80 ALDH1A1 (0.65) RAB9ANPC1ALDH1A1LMNAMAPK1
Phenol SCHEMBL8971130 0.78 ALDH1A1 (0.55) GAANPC1ALDH1A1LMNAMAPT
SCHEMBL27759597 0.77 L3MBTL1 (0.50) GAARAB9AHPGDNPC1CRHBP
SCHEMBL10696109 0.77 KMT2A (0.58) GAARAB9AHPGDNPC1CRHBP
Hydroquinone SCHEMBL27778449 0.76 MIF (0.46) GAARAB9AHPGDNPC1CRHBP
Malonic Acid Diethyl Ester SCHEMBL6129174 0.75 GAA (0.60) GAAHPGDALDH1A1MIFMAPT
Phenol SCHEMBL9506782 0.75 ALOX15 (0.60) GAANPC1ALDH1A1LMNAMAPT
Phenol SCHEMBL1348208 0.75 ALOX15 (0.60) GAANPC1ALDH1A1LMNAMAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417178-B1 Amyloid binding nitrogen-linked compounds for the antemortem diagnosis of alzheimer's disease, in vivo imaging and prevention of amyloid deposits UNIVERSITY OF PITTSBURGH 2002-07-09 US disclosed
EP-1110945-A2 Azocompounds for the antemortem diagnosis of Alzheimer's disease and in vivo imaging and prevention of amyloid deposition UNIVERSITY OF PITTSBURGH (US) 2001-06-27 EP disclosed
WO-1999024394-A9 COMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIV PITTSBURGH (US) 2001-05-31 WO disclosed
US-6168776-B1 Alkyl, alkenyl and alkynyl Chrysamine G derivatives for the antemortem diagnosis of Alzheimer's disease and in vivo imaging and prevention of amyloid deposition UNIVERSITY OF PITTSBURGH 2001-01-02 US disclosed
US-6133259-A DIAGNOSIS OF ALZHEIMER'S DISEASE UNIVERSITY OF PITTSBURGH (US) 2000-10-17 US disclosed
US-6114175-A AMYLOID-BINDING COMPOUNDS WHICH ARE NON-AZO DERIVATIVES OF CHRYSAMINE G TO DETERMINE DEGREE OF BRAIN DEPOSITS QUANTITATIVELY CHARACTERIZED BY AMYLOIDOSIS; DOWN'S SYNDROME; PREVENT CELL DEGENERATION; RADIOACTIVE IMAGING UNIVERSITY OF PITTSBURGH (US) 2000-09-05 US disclosed
EP-1028941-A2 COMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 2000-08-23 EP disclosed
EP-0977815-A1 ALKYL, ALKENYL AND ALKYNYL CHRYSAMINE G DERIVATIVES FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND $i(IN VIVO) IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 2000-02-09 EP disclosed
WO-1999024394-A2 COMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 1999-05-20 WO disclosed
WO-1998047969-A1 ALKYL, ALKENYL AND ALKYNYL CHRYSAMINE G DERIVATIVES FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 1998-10-29 WO disclosed
EP-0823894-A1 AZOCOMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 1998-02-18 EP disclosed
WO-1996034853-A1 AZOCOMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 1996-11-07 WO disclosed