SCHEMBL7783675

SCHEMBL7783675

CC(C)NC(=O)CCN(C)C.CC(CN(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
TERT O14746 4/20 0.34
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
LMNA P02545 1/20 0.32
UTS2R Q9UKP6 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
SCHEMBL7132152 0.86 MEN1 (0.50) FAAHMEN1KMT2AMAPK1TERT
SCHEMBL1411903 0.78
SCHEMBL22034594 0.78
SCHEMBL103865 0.78
SCHEMBL26731224 0.77 ALDH1A1 (0.47) FAAHKMT2ATERTALDH1A1
SCHEMBL26731232 0.77 ALDH1A1 (0.47) FAAHKMT2ATERTALDH1A1
Hydrochloric Acid SCHEMBL11529217 0.75 GABRR1 (0.42) MAPK1FOLH1NAALAD2CYP1A2ALDH1A1
SCHEMBL28144915 0.75 GABRR1 (0.42) MAPK1FOLH1NAALAD2CYP1A2
SCHEMBL7721282 0.74 MEN1 (0.57) FAAHMEN1KMT2AMAPK1ALDH1A1
SCHEMBL25945503 0.74 KMT2A (0.50) FAAHMEN1KMT2AMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140797-A1 PRODUCTION OF ACRYLIC MONOMERS Ciba Specialty Chemicals Water Treatments Limited (GB) 2001-10-10 EP disclosed
WO-2000041996-A1 PRODUCTION OF ACRYLIC MONOMERS CIBA SPECIALTY CHEMICALS WATER TREATMENTS LIMITED (GB) 2000-07-20 WO disclosed