SCHEMBL9806490

SCHEMBL9806490

CCOC(CO)C(O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PGD P52209 2/20 0.38
TSHR P16473 2/20 0.38
OR51E2 Q9H255 1/20 0.37
CYP2C9 P11712 1/20 0.35
LMNA P02545 1/20 0.35
MGAM O43451 1/20 0.34
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
TGFBR1 P36897 1/20 0.31
PPARA Q07869 2/20 0.30
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL11622189 0.81 GAA (0.38) PDE4APGDTSHROR51E2LMNA
SCHEMBL4951787 0.79 PGD (0.36) PGDTSHROR51E2LMNA
SCHEMBL8224464 0.79 MGAM (0.41) TSHRMGAMTP53
SCHEMBL11513135 0.78 PDE4A (0.40) PDE4APGDTSHROR51E2CYP2C9
SCHEMBL10386274 0.77 PDE4A (0.43) PDE4APGDTSHROR51E2CYP2C9
Cadaverine Tartrate SCHEMBL7683551 0.77 LMNA (0.57) PDE4APGDTSHRCYP2C9LMNA
SCHEMBL12672374 0.77 PDE4A (0.43) PDE4APGDTSHROR51E2CYP2C9
SCHEMBL7952614 0.75 PDE4A (0.38) PDE4APGDTSHROR51E2CYP2C9
SCHEMBL10386577 0.74 PDE4A (0.40) PDE4APGDTSHROR51E2CYP2C9
Propylene Glycol SCHEMBL3729380 0.74 TDP1 (0.39) PDE4APGDTSHROR51E2CYP2C9

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-4987056-A IMPROVED SENSITIVITY TO VISIBLE LIGHT TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-01-22 US disclosed