SCHEMBL14201301

SCHEMBL14201301

COCCN(CCOC)C(=O)CC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
MLYCD O95822 1/20 0.37
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.30
ALOX12 P18054 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
SCHEMBL18997638 0.83 POLB (0.32) KCNQ3KCNQ2POLB
SCHEMBL22900125 0.82 KCNQ3 (0.41) KCNQ3KCNQ2MLYCDALDH1A1KDM4E
SCHEMBL22199530 0.77 ALDH1A1 (0.40) MLYCDPOLBL3MBTL1ALDH1A1HPGD
SCHEMBL22791093 0.76 POLB (0.34) POLBALDH1A1HPGDLMNATSHR
SCHEMBL10305060 0.76 MLYCD (0.40) MLYCDPOLBL3MBTL1HDAC1HDAC6
SCHEMBL14201263 0.76 HPGD (0.48) MLYCDPOLBL3MBTL1ALDH1A1HPGD
SCHEMBL13744444 0.76 TRPM8 (0.38) MLYCDPOLBL3MBTL1HDAC1HDAC6
SCHEMBL7269672 0.74 BLM (0.39)
SCHEMBL10073252 0.74 MLYCD (0.42) KCNQ3KCNQ2MLYCDPOLBL3MBTL1
SCHEMBL2838599 0.74 ALDH1A1 (0.47) MLYCDPOLBL3MBTL1HDAC1ALDH1A1

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
US-11912876-B2 Blue-excitable water-solvated polymeric dyes BECTON, DICKINSON AND COMPANY (US) 2024-02-27 US disclosed
US-11643556-B2 Fluorescent conjugated polymers BECTON, DICKINSON AND COMPANY (US) 2023-05-09 US disclosed
US-20180009990-A1 FLUORESCENT WATER-SOLVATED CONJUGATED POLYMERS BECTON, DICKINSON AND COMPANY 2018-01-11 US disclosed
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed