SCHEMBL3865670

SCHEMBL3865670

Cc1c(N)c(CCC(=O)O)cc2cc3ccccc3cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.38
HPGD P15428 1/20 0.38
FFAR1 O14842 5/20 0.38
AKR1B1 P15121 1/20 0.38
POLB P06746 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
KEAP1 Q14145 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CYP2D6 P10635 1/20 0.37
MTNR1A P48039 1/20 0.36
RPS6KB2 Q9UBS0 1/20 0.36
SLC6A3 Q01959 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL3840320 0.76 IDO1 (0.50) NPSR1CCNCCDK8CYP1A2CYP2C19
SCHEMBL5593879 0.74 PTGER1 (0.51) CCNCCDK8CYP1A2CYP2C19HPGD
SCHEMBL30532048 0.73 PTGER1 (0.50) CCNCCDK8CYP1A2CYP2C19HPGD
SCHEMBL29942127 0.71 PARP1 (0.47) NPSR1CYP1A2CYP2C19FFAR1AKR1B1
SCHEMBL3222332 0.71 CYP1A2 (0.50) CCNCCDK8CYP1A2CYP2C19HPGD
SCHEMBL7692618 0.70 ALDH1A1 (0.39) CYP1A2CYP2C19HPGDPOLBKDM4E
SCHEMBL5997308 0.70 CYP1A2 (0.53) CCNCCDK8CYP1A2CYP2C19HPGD
Anthracene SCHEMBL27544317 0.69 FFAR3 (0.56) CYP1A2CYP2C19HPGDKEAP1KDM4E
SCHEMBL4273930 0.69 CYP1A2 (0.47) NPSR1CCNCCDK8CYP1A2CYP2C19
SCHEMBL14430419 0.69 FFAR1 (0.56) NPSR1CCNCCDK8CYP1A2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099807-A2 OXIDATION RESISTANT INDICATOR MOLECULES Sensors For Medicine And Science, Inc. (US) 2009-09-16 EP claimed
WO-2008066921-A2 OXIDATION RESISTANT INDICATOR MOLECULES SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2008-06-05 WO claimed
EP-1490359-A4 DETECTION OF GLUCOSE IN SOLUTIONS ALSO CONTAINING AN ALPHA-HYDROXY ACID OR A BETA-DIKETONE SENSORS FOR MED & SCIENCE INC (US) 2006-08-23 EP disclosed
EP-1490359-A1 DETECTION OF GLUCOSE IN SOLUTIONS ALSO CONTAINING AN ALPHA-HYDROXY ACID OR A BETA-DIKETONE Sensors for Medicine and Science, Inc. (US) 2004-12-29 EP disclosed
WO-2003078424-A1 DETECTION OF GLUCOSE IN SOLUTIONS ALSO CONTAINING AN ALPHA-HYDROXY ACID OR A BETA-DIKETONE SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2003-09-25 WO disclosed