SCHEMBL8780304

SCHEMBL8780304

CCCCC(O)C(O)CN(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.47
PLA2G2A P14555 1/20 0.47
SPHK1 Q9NYA1 2/20 0.40
CYP2D6 P10635 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CETP P11597 1/20 0.38
HTT P42858 1/20 0.38
UBE2N P61088 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8780353 0.93 PLA2G1B (0.55) PLA2G1BPLA2G2ASPHK1CYP2D6GMNN
SCHEMBL8780318 0.86 PLA2G1B (0.39) PLA2G1BPLA2G2ASPHK1CYP2D6GMNN
SCHEMBL8780306 0.85 LMNA (0.41) PLA2G1BPLA2G2ACYP2D6LMNACYP1A2
SCHEMBL30575899 0.82 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL16597197 0.82 PLA2G1B (0.37) PLA2G1BPLA2G2ACYP2D6LMNAPOLB
SCHEMBL27881377 0.82 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL600713 0.82 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL7708644 0.82 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL1234977 0.82 SPHK1 (0.52) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL8780312 0.81 SPHK1 (0.40) PLA2G1BPLA2G2ASPHK1CYP2D6GMNN

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-0601668-B1 Epoxy resin composition SHELL INT RESEARCH (NL) 1997-03-19 EP disclosed
EP-0601668-A2 Epoxy resin composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1994-06-15 EP disclosed