SCHEMBL3136461

SCHEMBL3136461

O=C1C[C@@H](O)C(O)[C@H](O)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GBA1 P04062 1/20 0.33
GLA P06280 1/20 0.33
GLB1 P16278 1/20 0.33
FUCA1 P04066 1/20 0.33
ERBB2 P04626 1/20 0.32
PIM1 P11309 1/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL3127579 1.00 MEN1 (0.38) MEN1KMT2AGBA1GLAGLB1
SCHEMBL3899974 0.86
SCHEMBL3310184 0.86
SCHEMBL3900672 0.86
SCHEMBL14348202 0.75
SCHEMBL14524980 0.75
SCHEMBL5277725 0.72
SCHEMBL23927965 0.69
SCHEMBL16581458 0.69 MEN1 (0.36) MEN1KMT2APTPN1
SCHEMBL7709798 0.69 GBA1 (0.35) GBA1GLAGLB1FUCA1

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-8080397-B2 Biocatalystic synthesis of quinic acid and conversion to hydroquinone by recombinant microbes BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 2011-12-20 US disclosed
US-20100279368-A1 Biocatalystic Synthesis of Quinic Acid and Conversion to Hydroquinone by Recombinant Microbes NATIONAL SCIENCE FOUNDATION 2010-11-04 US disclosed
US-7642083-B2 Generation of hydroquinone and derivatives; obtain quinic acid, oxidize to 3,4,5-trihydroxycyclohexanone, convert 3,4,5-trihydroxycyclohexanone to hydroquinone BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 2010-01-05 US disclosed
US-7002047-B2 Biocatalytic synthesis of quinic acid and conversion to hydroquinone BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 2006-02-21 US disclosed
US-20060003429-A1 Biocatalytic synthesis of quinic acid and conversion to hydroquinone NATIONAL SCIENCE FOUNDATION 2006-01-05 US disclosed
US-20030203460-A1 Biocatalytic synthesis of quinic acid and conversion to hydroquinone NATIONAL SCIENCE FOUNDATION 2003-10-30 US disclosed
US-6620602-B2 Generation of hydroquinone and derivatives; obtain quinic acid, oxidize to 3,4,5-trihydroxycyclohexanone, convert 3,4,5-trihydroxycyclohexanone to hydroquinone BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2003-09-16 US disclosed
US-6600077-B1 Biocatalytic synthesis of quinic acid and conversion to hydroquinone BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2003-07-29 US disclosed
EP-1151125-A4 BIOCATALYTIC SYNTHESIS OF QUINIC ACID AND CONVERSION TO HYDROQUINONE UNIV MICHIGAN STATE (US) 2003-04-23 EP disclosed
US-20020142409-A1 Biocatalytic synthesis of quinic acid and conversion to hydroquinone NATIONAL SCIENCE FOUNDATION 2002-10-03 US disclosed
EP-1151125-A1 BIOCATALYTIC SYNTHESIS OF QUINIC ACID AND CONVERSION TO HYDROQUINONE Board of Trustees operating Michigan State University (US) 2001-11-07 EP disclosed
WO-2000044924-A1 BIOCATALYTIC SYNTHESIS OF QUINIC ACID AND CONVERSION TO HYDROQUINONE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 2000-08-03 WO disclosed