SCHEMBL9414248

SCHEMBL9414248

C=C(CC)C(=O)O.C=CC(=O)OCC(CC)CCCC.C=CC(=O)OCCCC

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.71
HPGD P15428 1/20 0.54
CYP3A4 P08684 5/20 0.45
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 2/20 0.45
HCAR2 Q8TDS4 3/20 0.41
ALDH1A1 P00352 5/20 0.40
CA2 P00918 1/20 0.40
RECQL P46063 1/20 0.39
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35

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
SCHEMBL1831132 0.95 TSHR (0.64) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL29850497 0.95 TSHR (0.78) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL1831131 0.92 TSHR (0.60) TSHRHPGDCYP3A4TDP1ATM
Methacrylic Acid SCHEMBL1085038 0.90 TSHR (0.74) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL338002 0.90 TSHR (0.88) TSHRHPGDCYP3A4TDP1ATM
Acrylic Acid SCHEMBL3844152 0.89 TSHR (0.81) TSHRHPGDCYP3A4TDP1ATM
Acrylic Acid SCHEMBL7263337 0.89 TSHR (0.81) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL29365418 0.86 TSHR (0.76) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL7637487 0.86 TSHR (0.59) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL11144828 0.86 TSHR (0.76) TSHRHPGDCYP3A4TDP1ATM

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-0586966-A2 High cohesion waterborne pressure sensitive adhesives National Starch and Chemical Investment Holding Corporation (US) 1994-03-16 EP claimed
EP-0586966-A2 High cohesion waterborne pressure sensitive adhesives National Starch and Chemical Investment Holding Corporation (US) 1994-03-16 EP disclosed