SCHEMBL25818367

SCHEMBL25818367

C#CCCCC(=O)NCCSCCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
SELP P16109 1/20 0.36
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NAAA Q02083 1/20 0.33
CNR1 P21554 4/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
GBA1 P04062 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
KCNK3 O14649 1/20 0.31

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
SCHEMBL25839499 0.86 L3MBTL1 (0.45) CYP1A2CYP2D6CYP3A4SELPTSHR
SCHEMBL25839149 0.82 CYP1A2 (0.35) CYP1A2CYP2D6CYP3A4SELPTSHR
SCHEMBL13193058 0.81 SELP (0.50) CYP1A2CYP2D6CYP3A4SELPMAPT
SCHEMBL11887039 0.79 ALDH1A1 (0.46) CYP1A2CYP2D6CYP3A4SELPTSHR
SCHEMBL31225481 0.76 SELP (0.49) CYP1A2CYP2D6CYP3A4SELPL3MBTL1
SCHEMBL13193054 0.75 SELP (0.59) CYP1A2CYP2D6SELPL3MBTL1MAPT
SCHEMBL15044595 0.74 CYP1A2 (0.38) CYP1A2CYP2D6CYP3A4SELPTSHR
SCHEMBL1550095 0.73 NAAA (0.47) CYP1A2CYP2D6SELPTSHRL3MBTL1
SCHEMBL20873757 0.73 CYP1A2 (0.45) CYP1A2CYP2D6CYP3A4SELPTSHR
SCHEMBL10124145 0.73 L3MBTL1 (0.49) CYP1A2CYP2D6CYP3A4SELPTSHR

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-2023129652-A1 METHODS FOR THE CONJUGATION OF ANTHRACYCLINES TO CARBOHYDRATE POLYMERIC CARRIERS NAVIDEA BIOPHARMACEUTICALS, INC. (US) 2023-07-06 WO disclosed