SCHEMBL4380588

SCHEMBL4380588

Cc1cc2ccc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)cc2oc1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.65
▸ CA9 Q16790 5/20 0.65
▸ CA1 P00915 4/20 0.65
▸ CA2 P00918 2/20 0.65
▸ CA7 P43166 1/20 0.57
▸ CA13 Q8N1Q1 1/20 0.57
▸ DNMT1 P26358 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ ALDH1A1 P00352 5/20 0.55
▸ HPGD P15428 5/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ CASP1 P29466 4/20 0.55
▸ CASP7 P55210 4/20 0.55
▸ HSD17B10 Q99714 4/20 0.55
▸ GLA P06280 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ CYP2C19 P33261 1/20 0.55

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
SCHEMBL2920251 1.00 CA12 (0.65) CA12CA9CA1CA2CA7
SCHEMBL2188805 1.00 CA12 (0.65) CA12CA9CA1CA2CA7
SCHEMBL4074640 1.00 CA12 (0.65) CA12CA9CA1CA2CA7
SCHEMBL7076980 1.00 CA12 (0.65) CA12CA9CA1CA2CA7
SCHEMBL7766916 1.00 CA12 (0.65) CA12CA9CA1CA2CA7
SCHEMBL7624640 1.00 CA12 (0.65) CA12CA9CA1CA2CA7
SCHEMBL2778091 0.99 CA12 (0.67) CA12CA9CA1CA2CA7
SCHEMBL2188796 0.99 CA12 (0.67) CA12CA9CA1CA2CA7
SCHEMBL165951 0.99 CA12 (0.67) CA12CA9CA1CA2CA7
SCHEMBL336407 0.99 CA12 (0.67) CA12CA9CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990012886-A1 FLUORESCENT AQUATIC BIOASSAY AND PROCEDURE HAYES KENNETH R (US) 1990-11-01 — — WO claimed
US-8461320-B2 Metabolism mutant; nucleic acid cassette DUPONT NUTRITION BIOSCIENCES APS (DK) 2013-06-11 — — US disclosed
EP-0833922-B1 A NOVEL METHOD TO ISOLATE MUTANTS AND TO CLONE THE COMPLEMENTING GENE DANISCO (DK) 2009-04-22 — — EP disclosed
EP-1514936-B1 Nucleic acid sequence xlnR of the regulator of the xylanolytic pathway XylR from Aspergillus niger DANISCO (DK) 2007-12-05 — — EP disclosed
EP-1514936-A2 A novel method to isolate mutants and to clone the complementing gene DANISCO A/S (DK) 2005-03-16 — — EP disclosed
US-20030175893-A1 Novel method to isolate mutants and to clone the complementing gene DANSICO INGREDIENTS A/S 2003-09-18 — — US disclosed
US-6599745-B1 Generation of mutant microorganism; obtain cells, transform with vector, culture, recover transformed cells, incubate with mutagen, monitor phenotype, recover cells of preferential phenotype DANISCO INGREDIENTS A/S (DANISCO A/S) (DK) 2003-07-29 — — US disclosed
US-6177261-B1 PROMOTER ACTIVATED BY REGULATOR AND LINKED TO DESIRED PROTEIN OR PEPTIDE AND A NUCLEOTIDE SEQUENCE INCLUDING A PROMOTER AND ENCODING THE REGULATOR; REGULATOR IS FUNGAL XYLANOLYTIC REGULATOR, XYLR; OBTAINING METABOLIC MUTANT MICROORGANISMS DANISCO INGREDIENTS A/S (DANISCO A/S) (DK) 2001-01-23 — — US disclosed
EP-0833922-A1 A NOVEL METHOD TO ISOLATE MUTANTS AND TO CLONE THE COMPLEMENTING GENE DANISCO INGREDIENTS A/S (DANISCO A/S) (DK) 1998-04-08 — — EP disclosed
WO-1997000962-A1 A NOVEL METHOD TO ISOLATE MUTANTS AND TO CLONE THE COMPLEMENTING GENE DANISCO INGREDIENTS A/S (DANISCO A/S) (DK) 1997-01-09 — — WO disclosed
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