SCHEMBL6049029

SCHEMBL6049029

CCCCOc1ccccc1-n1nnnc1CCC.CCCc1nnnn1-c1ccccc1OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.42
ALDH1A1 P00352 4/20 0.41
P2RX7 Q99572 1/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HSD11B1 P28845 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POU5F1 Q01860 1/20 0.36
NR1I2 O75469 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL4212133 0.92 MAPK1 (0.44) KCNN4ALDH1A1MAPK1KMT2AHSD11B1
SCHEMBL4216094 0.92 KCNN4 (0.47) KCNN4ALDH1A1P2RX7MAPK1NPSR1
SCHEMBL4198846 0.85 ALDH1A1 (0.49) KCNN4ALDH1A1MAPK1KMT2AMEN1
SCHEMBL4208594 0.83 MAPK1 (0.44) KCNN4ALDH1A1MAPK1KMT2ACYP1A2
SCHEMBL4212131 0.82 KCNN4 (0.41) KCNN4ALDH1A1P2RX7MAPK1NPSR1
SCHEMBL4203490 0.82 ALDH1A1 (0.44) KCNN4ALDH1A1MAPK1KMT2AHSD11B1
SCHEMBL4203249 0.81 MAPK1 (0.54) KCNN4ALDH1A1P2RX7MAPK1KMT2A
SCHEMBL4208312 0.81 KCNN4 (0.49) KCNN4ALDH1A1P2RX7MAPK1NPSR1
SCHEMBL4209113 0.78 ALDH1A1 (0.45) KCNN4ALDH1A1P2RX7MAPK1KMT2A
SCHEMBL4207437 0.78 KCNN4 (0.55) KCNN4ALDH1A1KMT2AMEN1NPSR1

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
EP-1650198-A1 ALKOXYTETRAZOL-1-YLBENZALDEHYDE COMPOUND AND PROCESS FOR PRODUCING THE SAME Toyo Kasei Kogyo Company Limited (JP) 2006-04-26 EP disclosed