SCHEMBL3479985

SCHEMBL3479985

CCC1CCCC(C(C)O)C1O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
PTGS1 P23219 7/20 0.34
PTGS2 P35354 6/20 0.34
MT-CO1 P00395 1/20 0.34
MT-CO2 P00403 1/20 0.34
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL2306152 0.86 CA1 (0.38) CA1CA2CA4PTGS1PTGS2
SCHEMBL12166853 0.82 CA1 (0.35) GBA1CA1CA2CA4PTGS1
SCHEMBL21074754 0.81 CA1 (0.40) GBA1CA1CA2CA4PTGS1
SCHEMBL2310756 0.78 CA1 (0.42) GBA1CA1CA2CA4
SCHEMBL14713996 0.76 GBA1 (0.50) GBA1CA1CA2CA4PTGS1
SCHEMBL14724644 0.76 GBA1 (0.50) GBA1CA1CA2CA4PTGS1
SCHEMBL3480645 0.76 CA1 (0.41) CA1CA2CA4PTGS1PTGS2
SCHEMBL12166650 0.73 MEN1 (0.33) CA1CA2CA4
SCHEMBL24903255 0.72 TRPA1 (0.39)
SCHEMBL3480513 0.72 GBA1 (0.47) GBA1CA1CA2CA4

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
US-7767012-B2 Recording liquid, liquid cartridge, liquid discharge device, and liquid discharge method SONY CORPORATION (JP) 2010-08-03 US disclosed
US-20070139500-A1 RECORDING LIQUID, LIQUID CARTRIDGE, LIQUID DISCHARGE DEVICE, AND LIQUID DISCHARGE METHOD SONY CORPORATION (JP) 2007-06-21 US disclosed