SCHEMBL22921089

SCHEMBL22921089

CC(C)NCCOCCCO

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ADRB2 P07550 1/20 0.35
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTR1A P08908 1/20 0.33
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
HTR1B P28222 2/20 0.32
NR2E1 Q9Y466 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
SCHEMBL23075826 0.91 ADRB2 (0.42) KDM4ECYP1A2CYP2D6CYP2C19TSHR
SCHEMBL24897598 0.89 KDM4E (0.41) KDM4ECYP1A2CYP2D6CYP2C19TSHR
SCHEMBL24783406 0.88 MEN1 (0.45) KDM4ECYP1A2CYP2D6CYP2C19TSHR
SCHEMBL5179884 0.86 TSHR (0.48) KDM4ECYP1A2CYP2D6CYP2C19TSHR
SCHEMBL20562604 0.86 KDM4E (0.39) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL23076082 0.85 KDM4E (0.41) KDM4ETSHRMEN1KMT2AADRB2
SCHEMBL23075822 0.84 MEN1 (0.50) KDM4ECYP1A2CYP2D6CYP2C19TSHR
SCHEMBL18952928 0.84 MEN1 (0.50) KDM4ECYP1A2CYP2D6CYP2C19TSHR
SCHEMBL20562681 0.84 KDM4E (0.41) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL20562213 0.84 KDM4E (0.41) KDM4ECYP1A2CYP2D6CYP2C19POLB

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
US-20210023576-A1 Process for Seaming of Artificial Turf using Low-Pressure Adhesives ICP ADHESIVES AND SEALANTS, INC (US) 2021-01-28 US disclosed