SCHEMBL7126662

SCHEMBL7126662

C=CC(O)C(O)CCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.41
CYP2D6 P10635 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CETP P11597 1/20 0.39
HTT P42858 1/20 0.39
UBE2N P61088 1/20 0.39
FPR2 P25090 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL7117864 0.93 SPHK1 (0.50) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL29663968 0.91 SPHK1 (0.54) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL7116445 0.84
SCHEMBL27881588 0.83 SPHK1 (0.40) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL13006892 0.81 SPHK1 (0.39) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL29598966 0.81 SPHK1 (0.34) SPHK1MAPTTSHRALDH1A1DNM1
SCHEMBL30228427 0.81 SPHK1 (0.34) SPHK1MAPTTSHRALDH1A1DNM1
SCHEMBL11671619 0.81 SPHK1 (0.34) SPHK1MAPTTSHRALDH1A1DNM1
SCHEMBL9763067 0.81 SPHK1 (0.43) SPHK1CYP2D6GMNNLMNAPOLB
SCHEMBL6440477 0.80 SPHK1 (0.41) SPHK1CYP2D6GMNNLMNAPOLB

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
US-20030153483-A1 Concentrated, stable fabric softening composition TRINH TOAN (US) 2003-08-14 US claimed
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP claimed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed
US-4065511-A REACTING ORGANIC PEROXIDES AND A TRIHYDROCARBYL PHOSPHINE PHILLIPS PETROLEUM (US) 1977-12-27 US disclosed