SCHEMBL11514839

SCHEMBL11514839

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
TSHR P16473 3/20 0.39
DGKA P23743 1/20 0.35
CYP1A2 P05177 1/20 0.35
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.32
PAM P19021 2/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PRKCA P17252 1/20 0.31
PRKCE Q02156 1/20 0.31

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
SCHEMBL723219 0.87 DGKA (0.48) CYP3A4ALDH1A1TSHRDGKACYP1A2
SCHEMBL722972 0.87 LMNA (0.44) CYP3A4ALDH1A1TP53MAPK1SMN1; SMN2
SCHEMBL8772468 0.87 GPR84 (0.41) CYP3A4ALDH1A1TP53MAPK1SMN1; SMN2
SCHEMBL9579855 0.87 GPR84 (0.41) CYP3A4ALDH1A1TP53MAPK1SMN1; SMN2
SCHEMBL9994012 0.86 TSHR (0.46) ALDH1A1TSHRTDP1LMNAPAM
SCHEMBL8772488 0.86 GPR84 (0.40) CYP3A4ALDH1A1TP53MAPK1SMN1; SMN2
SCHEMBL30517204 0.86 FOLH1 (0.40) CYP3A4ALDH1A1TP53MAPK1SMN1; SMN2
SCHEMBL1651819 0.86 DGKA (0.57) CYP3A4ALDH1A1MAPK1TSHRDGKA
SCHEMBL3685763 0.84 DGKA (0.60) ALDH1A1MAPK1TSHRDGKALMNA
SCHEMBL17812653 0.84 DGKA (0.60) ALDH1A1MAPK1TSHRDGKALMNA

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-4157261-A PHOTOINITIATOR, CHLORINATED POLYOLEFIN BINDER FUJI PHOTO FILM CO., LTD. (JP) 1979-06-05 US disclosed