SCHEMBL5027331

SCHEMBL5027331

C=CC(=O)OCC(CO)CCCC

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.79
HPGD P15428 1/20 0.53
CYP3A4 P08684 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 2/20 0.46
ALDH1A1 P00352 8/20 0.46
LMNA P02545 3/20 0.41
CA2 P00918 1/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RECQL P46063 1/20 0.39
HSD17B10 Q99714 2/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL5188758 0.92 TSHR (0.88) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL19456761 0.91 TSHR (0.87) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL1480795 0.91 TSHR (0.87) TSHRHPGDCYP3A4TDP1ATM
Benzene SCHEMBL11786070 0.88 TSHR (0.81) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL14869 0.88 TSHR (1.00) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL29596375 0.88 TSHR (1.00) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL7620022 0.88 TSHR (0.81) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL16765797 0.88 TSHR (1.00) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL20609794 0.88 TSHR (1.00) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL31661158 0.88 TSHR (0.81) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425525-B2 Washing solution for inkjet printer head and washing method using the solution TOSHIBA TEC KABUSHIKI KAISHA (JP) 2008-09-16 US disclosed
EP-1621348-A1 Washing solution for inkjet printer head and washing method using the solution Toshiba Tec Kabushiki Kaisha (JP) 2006-02-01 EP disclosed
US-20060017769-A1 Washing solution for inkjet printer head and washing method using the solution TOSHIBA TEC KABUSHIKI KAISHA (JP) 2006-01-26 US disclosed
EP-0231666-A2 Polyester graft copolymers and flexible coating compositions comprising same E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-08-12 EP disclosed
EP-0148581-A1 High solid coatings EXXON RESEARCH AND ENGINEERING COMPANY (US) 1985-07-17 EP disclosed
EP-0099647-A2 Superior solvent blends for synthesis of acrylic resins for high solids coatings EXXON RESEARCH AND ENGINEERING COMPANY (US) 1984-02-01 EP disclosed