SCHEMBL4608629

SCHEMBL4608629

O=C[C@H](O)[C@@H](Oc1cc2ccccc2[nH]1)[C@H](OCl)[C@H](OBr)C(=O)O.[NaH]

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
DAO P14920 1/20 0.33
HPGD P15428 1/20 0.33
SRD5A2 P31213 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FLT3 P36888 3/20 0.32
CYP2A6 P11509 1/20 0.32
EGFR P00533 1/20 0.30
PIK3CA P42336 1/20 0.30
PDGFRB P09619 2/20 0.30
PDGFRA P16234 2/20 0.30
IDO1 P14902 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL55697 0.99 KDM4E (0.34) KDM4EMAPTDAOHPGDSRD5A2
Cyclohexane SCHEMBL8638010 0.96 KDM4E (0.32) KDM4EMAPTDAOHPGDSRD5A2
Cyclohexylamine SCHEMBL1254606 0.89 SMYD3 (0.32) KDM4EHSD17B10
SCHEMBL1246522 0.87 KDM4E (0.36) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL7212875 0.83 CYP2A6 (0.32) KDM4ECYP2A6
SCHEMBL3225191 0.83 CYP2A6 (0.32) KDM4ECYP2A6
SCHEMBL4925150 0.83 PDGFRB (0.34) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL8632759 0.81 CYP2A6 (0.32) CYP2A6
SCHEMBL6146231 0.80 KDM4E (0.38) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL6570396 0.79 KDM4E (0.38) KDM4EMAPTDAOHPGDSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6063590-A CULTURES FOR DETECTION OF MICROORGANISMS; FOR DETECTING AND COUNTING DIFFERENT MICROORGAMISMS CONCURRENTLY AND PREVENTS REJECTION OF ACCEPTABLE DRINKING WATER THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE U.S. ENVIRONMENTAL PROTECTION AGENCY (US) 2000-05-16 US claimed
EP-2951279-B1 METHOD AND CULTURE DEVICE FOR DETECTING YEASTS AND MOLDS 3M INNOVATIVE PROPERTIES CO (US) 2020-12-09 EP disclosed
EP-3553163-A1 ARTICLE AND METHOD FOR DETECTING AEROBIC BACTERIA 3M Innovative Properties Company (US) 2019-10-16 EP disclosed
EP-3114209-B1 ARTICLE AND METHOD FOR DETECTING AEROBIC BACTERIA 3M INNOVATIVE PROPERTIES CO (US) 2019-06-12 EP disclosed
EP-0870054-B1 METHOD AND COMPOSITION FOR DETECTING BACTERIAL CONTAMINATION IN FOOD PRODUCTS BIOCONTROL SYSTEMS INC (US) 2008-07-30 EP disclosed
US-6472167-B1 MEASURE VIABLE BACTERIA AS A FUNCTION OF THE ACTIVITIES OF BACTERIAL ENZYMES, PHOSPHATASES, GLUCOSIDASES, AND AMINOPEPTIDASES; PRESENCE DETECTED BY A FLUORESCENT SIGNAL BIOCONTROL SYSTEMS, INC. 2002-10-29 US disclosed
US-6387650-B1 INNOCULATING AND INCUBATING TEST SAMPLE ON GROWTH MEDIUM HAVING ENZYME SUBSTRATES FOR PHOSPHATASE, GLYCOSIDASE, AND PEPTIDASE, THEN DETECTING OR MEASURING SIGNAL PRODUCED BY THE HYDROLYSIS OF THE SUBSTRATES BIOCONTROL SYSTEMS, INC. 2002-05-14 US disclosed
US-5849515-A Method and medium for use in detecting E. coli and total coliforms HACH COMPANY (US) 1998-12-15 US disclosed
US-5650290-A Method & Medium for use in detecting E. coli and total coliforms HACH COMPANY (US) 1997-07-22 US disclosed