SCHEMBL8037796

SCHEMBL8037796

CC=C(C)C(=O)OCC(O)CCCCO

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.32
DUSP3 P51452 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.31
DGKA P23743 1/20 0.31
FAAH O00519 1/20 0.30
PTPN1 P18031 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
SCHEMBL7777877 0.88 USP2 (0.33) USP2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL9779200 0.85 GPR84 (0.46) USP2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL154843 0.82 FAAH (0.39) USP2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL8037794 0.81 TSHR (0.52) USP2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL9256250 0.81 USP2 (0.38) USP2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL11895465 0.81 TSHR (0.45) ALDH1A1CYP3A4MAPK1LMNATSHR
SCHEMBL6654801 0.80 USP2 (0.53) USP2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL14945 0.80 LMNA (0.43) USP2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL8084375 0.76 TSHR (0.53) USP2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL588267 0.76 FAAH (0.32) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0677494-B1 Curable polymer mortar or concrete compositions TAKEMOTO OIL & FAT CO LTD (JP) 2000-03-22 EP disclosed
US-5591563-A POLYACRYLATED DIURETHANE, ACRYLOYLMORPHOLINE TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 1997-01-07 US disclosed
EP-0677494-A2 Curable polymer mortar or concrete compositions Takemoto Yushi Kabushiki Kaisha (JP) 1995-10-18 EP disclosed
US-5447984-A Unsaturated urethane, vinyl monomer binder, inorganic filler or aggregate, viscosity reducer, low shrinking agent TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 1995-09-05 US disclosed