SCHEMBL7126992

SCHEMBL7126992

OCC[C@@H]1CCCC[C@@H]1CCO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
TDP1 Q9NUW8 1/20 0.36
PABPC1 P11940 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TSHR P16473 1/20 0.32
GRIN2D O15399 5/20 0.31
GRIN3B O60391 5/20 0.31
GRIN1 Q05586 5/20 0.31
GRIN2A Q12879 5/20 0.31
GRIN2B Q13224 5/20 0.31
GRIN2C Q14957 5/20 0.31
GRIN3A Q8TCU5 5/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
GBA1 P04062 1/20 0.30
GLB1 P16278 1/20 0.30

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
SCHEMBL349548 1.00 CA1 (0.40) CA1CA2CA4TDP1PABPC1
SCHEMBL10773607 0.93 CA1 (0.35) CA1CA2CA4TDP1CYP1A2
SCHEMBL24906364 0.91 TDP1 (0.41) CA1CA2CA4TDP1PABPC1
SCHEMBL1985934 0.91 TDP1 (0.41) CA1CA2CA4TDP1PABPC1
SCHEMBL10771181 0.89 CA1 (0.34) CA1CA2CA4TDP1
SCHEMBL18543687 0.89 CA1 (0.34) CA1CA2CA4TDP1
SCHEMBL13766711 0.87 CA1 (0.60) CA1CA2CA4TDP1PABPC1
SCHEMBL18543673 0.87 CA1 (0.33) CA1CA2CA4TDP1
SCHEMBL15973362 0.86 GLB1 (0.32) GLB1
SCHEMBL31645217 0.83 CA1 (0.62) CA1CA2CA4TDP1TSHR

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
EP-0842250-B1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION PROCTER & GAMBLE (US) 2003-03-05 EP disclosed