SCHEMBL22856439

SCHEMBL22856439

C=CCCOC(=O)CCN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
THRB P10828 1/20 0.39
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ABCC4 O15439 1/20 0.33
BLM P54132 1/20 0.33
HTR2C P28335 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DGKA P23743 1/20 0.32

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
SCHEMBL2137245 0.85 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ECA2CA9
SCHEMBL5545214 0.83
SCHEMBL9911949 0.82 HTR2C (0.53) ALDH1A1MAPTTHRBCNR1KDM4E
Hydrochloric Acid SCHEMBL4148030 0.81 HTR2C (0.51) ALDH1A1MAPTTHRBCNR1KDM4E
SCHEMBL28241052 0.81 ALDH1A1 (0.52) ALDH1A1MAPTTHRBCNR1LMNA
SCHEMBL9567441 0.81 ALDH1A1 (0.38) ALDH1A1MAPTKDM4ECA2CA9
SCHEMBL7594598 0.79 TDP1 (0.48) ALDH1A1MAPTTHRBCNR1LMNA
SCHEMBL2195300 0.79 TSHR (0.47) ALDH1A1MAPTTHRBCNR1LMNA
SCHEMBL28241811 0.79 ALDH1A1 (0.60) ALDH1A1MAPTTHRBCNR1LMNA
SCHEMBL13895238 0.79 TSHR (0.40) ALDH1A1MAPTTHRBCNR1CYP1A2

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-20200407475-A1 TUNABLE LINEAR FLUOROPOLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-12-31 US disclosed