SCHEMBL28080873

SCHEMBL28080873

CCC=CCOCC(O)CO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
PTGS1 P23219 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
DGKA P23743 1/20 0.35
KDM4E B2RXH2 3/20 0.33
LMNA P02545 3/20 0.33
FAAH O00519 2/20 0.33
DUSP3 P51452 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 2/20 0.31
AGTR1 P30556 1/20 0.31

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
SCHEMBL10618083 0.83 USP2 (0.39) USP2CA1CA2CA7DGKA
SCHEMBL1133507 0.81 USP2 (0.42) USP2CA1CA2CA7DGKA
SCHEMBL14374270 0.81 USP2 (0.42) USP2CA1CA2CA7DGKA
SCHEMBL11207215 0.81 USP2 (0.47) USP2CA1CA2CA7DGKA
SCHEMBL16520352 0.80 USP2 (0.43) USP2PTGS1CA1CA2CA7
SCHEMBL8893280 0.79 USP2 (0.42) USP2CA1CA2CA7DGKA
SCHEMBL2143187 0.78 USP2 (0.39) USP2CA1CA2CA7DGKA
SCHEMBL28431572 0.78 HSD17B10 (0.48) PTGS1HSD17B10
SCHEMBL1705370 0.78 DGKA (0.60) USP2DGKAKDM4ELMNAFAAH
SCHEMBL30400618 0.78 DGKA (0.60) USP2DGKAKDM4ELMNAFAAH

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
CN-105860458-A PET (polyethylene terephthalate) composite material 江苏民扬塑胶科技有限公司 2016-08-17 CN disclosed