SCHEMBL7737037

SCHEMBL7737037

Cc1cc[c]c(C(C)(C)C)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 2/20 0.33
BRD4 O60885 2/20 0.33
AKT2 P31751 2/20 0.33
TDO2 P48775 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.32
CHEK1 O14757 1/20 0.32
BRD2 P25440 1/20 0.32
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
FABP4 P15090 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL8595494 0.81 PLK1 (0.35) SMN1; SMN2HPGDKMT2AMAPTMEN1
SCHEMBL7152266 0.77 PDE4B (0.36) SMN1; SMN2HPGDKMT2AMAPTMEN1
SCHEMBL439377 0.76 BRD4 (0.37) SMN1; SMN2HPGDKMT2ABRD4AKT2
SCHEMBL7070227 0.75 BRD4 (0.36) SMN1; SMN2HPGDKMT2ABRD4AKT2
SCHEMBL6957908 0.73 CYP1A2 (0.38) SMN1; SMN2HPGDKMT2ABRD4AKT2
SCHEMBL17180554 0.73 TAAR1 (0.38) SMN1; SMN2KMT2ABRD4AKT2TDO2
SCHEMBL348335 0.71 TRPA1 (0.31)
SCHEMBL12817155 0.70 ADORA3 (0.30) SMN1; SMN2KMT2AMEN1
SCHEMBL5485666 0.70
SCHEMBL3539990 0.69 ALDH1A1 (0.35) SMN1; SMN2HPGDKMT2AMEN1PTGS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175423-A4 WEAKLY COORDINATING ANIONS CONTAINING POLYFLUOROALKOXIDE LIGANDS UNIV COLORADO STATE RES FOUND (US) 2002-10-25 EP disclosed
EP-1175423-A1 WEAKLY COORDINATING ANIONS CONTAINING POLYFLUOROALKOXIDE LIGANDS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2002-01-30 EP disclosed
WO-2000053611-A1 WEAKLY COORDINATING ANIONS CONTAINING POLYFLUOROALKOXIDE LIGANDS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2000-09-14 WO disclosed