SCHEMBL7653435

SCHEMBL7653435

C=CC(=O)NCCNC(=O)C=C.C=COC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TGM2 P21980 4/20 0.36
GAA P10253 1/20 0.36
KMT5A Q9NQR1 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
SCHEMBL2820957 0.86 TSHR (0.45) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Ethylene SCHEMBL8396261 0.85 TSHR (0.43) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL11872509 0.85 TSHR (0.43) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL4540758 0.84 ZDHHC20 (0.46) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL10894923 0.83 ALDH1A1 (0.42) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL21577400 0.82 TSHR (0.48) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL167051 0.80 TSHR (0.68) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL10952688 0.80 TSHR (0.68) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL11048396 0.79 TSHR (0.37) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL2612178 0.79 ZDHHC20 (0.55) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1

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
US-6492471-B1 A CONTINUOUS PROCESS FOR THE PREPARATION OF INORGANIC AND ORGANIC BEAD POLYMERS USING A STATIC MICROMIXER IS DISCLOSED. THE BEAD POLYMERS OBTAINABLE BY THE PROCESS ACCORDING TO THE INVENTION HAVE A VERY UNIFORM PARTICLE SIZE DISTRIBUTION, MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-12-10 US disclosed