SCHEMBL18869245

SCHEMBL18869245

CCCC1CC[C@@H](CC)C(O)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
INPP5A Q14642 1/20 0.31
GBA1 P04062 1/20 0.31
FYN P06241 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
SCHEMBL12166836 1.00 CA1 (0.42) CA1CA2CA4CYP2C9ALDH1A1
SCHEMBL12166528 0.89 CA1 (0.54) CA1CA2CA4CYP2C9ALDH1A1
SCHEMBL10158088 0.88 CYP1A2 (0.42) CA1CA2CA4LMNAMAPT
SCHEMBL3479935 0.86 CA1 (0.41) CA1CA2CA4CYP2C9ALDH1A1
SCHEMBL12166630 0.85 INPP5A (0.38) CA1CA2CA4INPP5A
SCHEMBL12159803 0.85 INPP5A (0.38) CA1CA2CA4INPP5A
SCHEMBL12166617 0.83 CA1 (0.47) CA1CA2CA4CYP2C9INPP5A
SCHEMBL13225338 0.83 CA1 (0.52) CA1CA2CA4CYP2C9INPP5A
SCHEMBL12417927 0.83 CA1 (0.40) CA1CA2CA4GBA1FYN
SCHEMBL14984194 0.82 CA1 (0.38) CA1CA2CA4CYP2C9

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-3168286-A1 LIQUID LAUNDRY DETERGENT COMPOSITION COMPRISING A PARTICLE The Procter and Gamble Company (US) 2017-05-17 EP disclosed