SCHEMBL28113313

SCHEMBL28113313

C=CCOC(=O)C(C)(O)OCCCCC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
HPGD P15428 1/20 0.39
NAAA Q02083 1/20 0.36
HCAR2 Q8TDS4 2/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
EPHX1 P07099 1/20 0.34
ATM Q13315 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CES2 O00748 1/20 0.33
DGKA P23743 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
FAAH O00519 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
SCHEMBL28670410 0.81 TSHR (0.51) TSHRHPGDNAAAHCAR2EPHX1
SCHEMBL22227807 0.81 TSHR (0.49) TSHRHPGDNAAAHCAR2EPHX1
SCHEMBL15622016 0.78 TSHR (0.51) TSHRHPGDCYP4F2CYP4A11ATM
SCHEMBL28648366 0.76 TSHR (0.50) TSHRHPGDNAAAHCAR2EPHX1
SCHEMBL22227808 0.76 TSHR (0.47) TSHRHPGDNAAAHCAR2EPHX1
SCHEMBL28119025 0.76 TSHR (0.49) TSHRHPGDCYP4F2CYP4A11ATM
SCHEMBL28549680 0.75 TSHR (0.49) TSHRHPGDNAAAHCAR2EPHX1
SCHEMBL28653702 0.75 TSHR (0.49) TSHRHPGDNAAAHCAR2EPHX1
SCHEMBL9778370 0.74 TSHR (0.38) TSHRTDP1CYP3A4
SCHEMBL24961319 0.74 TSHR (0.56) TSHRHPGDNAAACYP4F2CYP4A11

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-104870588-B The contact adhesive prepared by degradable monomer and polymer 3M INNOVATIVE PROPERTIES CO. (US) 2016-11-30 CN disclosed