SCHEMBL23720447

SCHEMBL23720447

CCCOc1ccc(CN)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.51
CNR2 P34972 11/20 0.50
NR5A1 Q13285 1/20 0.47
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
HTR1A P08908 1/20 0.44
HTR1B P28222 1/20 0.44
CNR1 P21554 3/20 0.44
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43

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
SCHEMBL22273415 0.86 KLKB1 (0.49) LTA4HCNR2KMT2ACA12CA1
SCHEMBL1581655 0.86 LTA4H (0.55) LTA4HCNR2NR5A1KMT2ACA12
SCHEMBL2846414 0.82 GABRA1 (0.48) LTA4HCNR2NR5A1KMT2ACNR1
SCHEMBL1050330 0.80 LTA4H (0.60) LTA4HNR5A1KMT2ACA12CA1
SCHEMBL338731 0.80 LTA4H (0.60) LTA4HNR5A1KMT2ACA12CA1
SCHEMBL4477939 0.79 LTA4H (0.47) LTA4HCNR2NR5A1KMT2ACNR1
SCHEMBL17534283 0.79 LTA4H (0.55) LTA4HCNR2NR5A1KMT2ACA12
SCHEMBL6244383 0.78 LTA4H (0.58) LTA4HNR5A1KMT2ACA12CA1
SCHEMBL639120 0.78 POLB (0.57) KMT2A
SCHEMBL4687675 0.78 TUBB4A (0.47) CNR2CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021154877-A1 MITOCHONDRIA-TARGETED ISOKETAL/ISOLEVUGLANDIN SCAVENGERS AND USES THEREOF VANDERBILT UNIVERSITY (US) 2021-08-05 WO disclosed