SCHEMBL8907142

SCHEMBL8907142

C=C(CC)C(=O)c1ccc(OCC(=O)OC(C(=O)O)C(O)C(=O)O)c(Cl)c1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 15/20 0.66
GSTA1 P08263 9/20 0.66
CYP2C9 P11712 2/20 0.66
MAPT P10636 2/20 0.66
MEN1 O00255 1/20 0.66
ABCC3 O15438 1/20 0.66
PLIN1 O60240 1/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
TP53 P04637 1/20 0.66
HSPD1 P10809 1/20 0.66
TSHR P16473 1/20 0.66
HTT P42858 1/20 0.66
RECQL P46063 1/20 0.66
MAP2K6 P52564 1/20 0.66
HSPE1 P61604 1/20 0.66
GSTO1 P78417 1/20 0.66
PLIN5 Q00G26 1/20 0.66
KMT2A Q03164 1/20 0.66
ATM Q13315 1/20 0.66

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
SCHEMBL21062152 0.86 GSTP1 (0.70) GSTP1GSTA1CYP2C9MAPTMEN1
SCHEMBL21062153 0.86 GSTP1 (0.70) GSTP1GSTA1CYP2C9MAPTMEN1
Ethacrynic Acid SCHEMBL8907134 0.84 GSTP1 (0.84) GSTP1GSTA1CYP2C9MAPTMEN1
SCHEMBL25070638 0.83 GSTP1 (0.65) GSTP1GSTA1CYP2C9MAPTMEN1
SCHEMBL22486725 0.82 GSTP1 (0.65) GSTP1GSTA1CYP2C9MAPTMEN1
SCHEMBL22486161 0.82 GSTP1 (0.65) GSTP1GSTA1CYP2C9MAPTMEN1
SCHEMBL22485840 0.82 GSTP1 (0.65) GSTP1GSTA1CYP2C9MAPTMEN1
SCHEMBL21062322 0.82 GSTP1 (0.65) GSTP1GSTA1CYP2C9MAPTMEN1
SCHEMBL22485612 0.82 GSTP1 (0.65) GSTP1GSTA1CYP2C9MAPTMEN1
SCHEMBL21062321 0.82 GSTP1 (0.65) GSTP1GSTA1CYP2C9MAPTMEN1

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
US-5613958-A Transdermal delivery systems for the modulated administration of drugs PP HOLDINGS INC. (US) 1997-03-25 US disclosed