SCHEMBL6049030

SCHEMBL6049030

CC(C)Oc1ccccc1-n1nnnc1C(F)(F)C(F)(F)F.CCCOc1ccccc1-n1nnnc1C(F)(F)C(F)(F)F.CCOc1ccccc1-n1nnnc1C(F)(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPK1 P28482 2/20 0.41
KCNN4 O15554 5/20 0.40
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
POU5F1 Q01860 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
P2RX7 Q99572 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CACNA2D1 P54289 1/20 0.34

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
SCHEMBL4203059 0.89 ALDH1A1 (0.48) ALDH1A1MAPK1KCNN4TSHRCASP1
SCHEMBL4202329 0.87 MAPK1 (0.51) ALDH1A1MAPK1KCNN4TSHRCASP1
SCHEMBL4210125 0.87 KCNN4 (0.49) ALDH1A1KCNN4NPSR1P2RX7
SCHEMBL4205313 0.84 ALDH1A1 (0.41) ALDH1A1MAPK1KCNN4TSHRCASP1
SCHEMBL4205310 0.81 KCNN4 (0.41) ALDH1A1MAPK1KCNN4NPSR1P2RX7
SCHEMBL4197400 0.80 ALDH1A1 (0.47) ALDH1A1MAPK1KCNN4TSHRCASP1
SCHEMBL4196490 0.80 ALDH1A1 (0.40) ALDH1A1MAPK1KCNN4TSHRCASP1
SCHEMBL4209716 0.78 KCNN4 (0.51) ALDH1A1KCNN4NPSR1P2RX7
SCHEMBL4205786 0.78 MAPK1 (0.53) ALDH1A1MAPK1KCNN4TSHRCASP1
SCHEMBL4205401 0.75 MAPK1 (0.42) ALDH1A1MAPK1KCNN4TSHRCASP1

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