SCHEMBL3652503

SCHEMBL3652503

CCCCCC(O)C(O)CCC(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.58
CYP2D6 P10635 2/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
GMNN O75496 1/20 0.48
POLB P06746 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48
BLM P54132 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CETP P11597 1/20 0.48
HTT P42858 1/20 0.48
UBE2N P61088 1/20 0.48
OPRM1 P35372 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
TRPA1 O75762 1/20 0.42
GPR84 Q9NQS5 5/20 0.41

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
SCHEMBL27795686 0.98 SPHK1 (0.61) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL28595255 0.92 SPHK1 (0.60) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL27816685 0.92 SPHK1 (0.48) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL17253504 0.90 SPHK1 (0.64) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL12054924 0.87 SPHK1 (0.65) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL1295728 0.87 SPHK1 (0.64) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL22804890 0.84 SPHK1 (0.68) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL22804708 0.84 SPHK1 (0.68) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL22805001 0.84 SPHK1 (0.68) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL22805017 0.84 SPHK1 (0.68) SPHK1CYP2D6LMNATP53GMNN

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101889092-A Biofuel production BIO ARCHITECTURE LAB INC 2010-11-17 CN disclosed
EP-2195440-A2 BIOFUEL PRODUCTION Bio Architecture Lab, Inc. (US) 2010-06-16 EP disclosed
WO-2009046375-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO disclosed
WO-2009046370-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO disclosed