SCHEMBL5670801

SCHEMBL5670801

O=C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)/C(O)=C(\O)C(O)C(O)C(O)C(O)CO

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.83
LMNA P02545 2/20 0.57
TDP1 Q9NUW8 1/20 0.52
USP2 O75604 1/20 0.52
SLCO1B1 Q9Y6L6 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 2/20 0.45
CYP2C9 P11712 1/20 0.45
OR51E2 Q9H255 1/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.32
PGD P52209 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
SCHEMBL9232100 0.93 PDE4A (0.95) PDE4ALMNATDP1USP2SLCO1B1
SCHEMBL9228526 0.93 PDE4A (0.95) PDE4ALMNATDP1USP2SLCO1B1
SCHEMBL7170692 0.93 PDE4A (0.95) PDE4ALMNATDP1USP2SLCO1B1
SCHEMBL9551477 0.93 PDE4A (0.95) PDE4ALMNATDP1USP2SLCO1B1
SCHEMBL3090 0.93 PDE4A (0.95) PDE4ALMNATDP1USP2SLCO1B1
SCHEMBL9227895 0.93 PDE4A (0.95) PDE4ALMNATDP1USP2SLCO1B1
SCHEMBL9227913 0.93 PDE4A (0.95) PDE4ALMNATDP1USP2SLCO1B1
SCHEMBL7148337 0.93 PDE4A (0.95) PDE4ALMNATDP1USP2SLCO1B1
SCHEMBL21580532 0.93 PDE4A (0.95) PDE4ALMNATDP1USP2SLCO1B1
SCHEMBL9232096 0.93 PDE4A (0.95) PDE4ALMNATDP1USP2SLCO1B1

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-1720988-A2 METHOD FOR PRODUCING UNSATURATED &ohgr;3 FATTY ACIDS IN TRANSGENIC ORGANISMS BASF Plant Science GmbH (DE) 2006-11-15 EP disclosed
WO-2005083053-A2 METHOD FOR PRODUCING UNSATURATED OMEGA-3 FATTY ACIDS IN TRANSGENIC ORGANISMS BASF PLANT SCIENCE GMBH (DE) 2005-09-09 WO disclosed