SCHEMBL6661493

SCHEMBL6661493

CCN1CCN(Cc2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.78
MC4R P32245 1/20 0.70
ALDH1A1 P00352 3/20 0.70
KDM4E B2RXH2 2/20 0.70
NPC1 O15118 2/20 0.70
TP53 P04637 2/20 0.70
KMT2A Q03164 2/20 0.70
MEN1 O00255 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
POLB P06746 2/20 0.68
LMNA P02545 1/20 0.68
TDP1 Q9NUW8 1/20 0.65
DRD4 P21917 1/20 0.62
RAB9A P51151 1/20 0.61
ACHE P22303 1/20 0.60
CHRNA7 P36544 1/20 0.59
CCR3 P51677 1/20 0.56

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
SCHEMBL878682 1.00 SIGMAR1 (0.78) SIGMAR1MC4RALDH1A1KDM4ENPC1
SCHEMBL1045589 1.00 SIGMAR1 (0.78) SIGMAR1MC4RALDH1A1KDM4ENPC1
SCHEMBL13062546 0.94 SIGMAR1 (0.69) SIGMAR1MC4RALDH1A1KDM4ENPC1
Isothiocyanate SCHEMBL2892810 0.89 SIGMAR1 (0.62) SIGMAR1MC4RALDH1A1KDM4ENPC1
SCHEMBL576868 0.89 SIGMAR1 (1.00) SIGMAR1MC4RKMT2APOLBLMNA
SCHEMBL8188324 0.89 SIGMAR1 (1.00) SIGMAR1MC4RKMT2APOLBLMNA
SCHEMBL242970 0.89 SIGMAR1 (1.00) SIGMAR1MC4RKMT2APOLBLMNA
SCHEMBL2489199 0.89 SIGMAR1 (1.00) SIGMAR1MC4RKMT2APOLBLMNA
SCHEMBL1041303 0.89 SIGMAR1 (1.00) SIGMAR1MC4RKMT2APOLBLMNA
SCHEMBL1415730 0.89 SIGMAR1 (1.00) SIGMAR1MC4RKMT2APOLBLMNA

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-1160267-B1 CATALYST FOR OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, METHOD OF OXIDATIVE POLYMERIZATION OF FLUOROPHENOL, AND POLY(OXYFLUOROPHENYLENE) DERIVATIVE JAPAN SCIENCE & TECH CORP (JP) 2004-08-04 EP disclosed