SCHEMBL30945778

SCHEMBL30945778

CCCCC1(CCCC)CCC(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
GBA1 P04062 2/20 0.36
PRKCA P17252 5/20 0.35
SPHK1 Q9NYA1 1/20 0.34
GLB1 P16278 1/20 0.33
SHBG P04278 1/20 0.32
GUSB P08236 2/20 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
SCHEMBL21334170 0.80 GAA (0.35) GAAGBA1SPHK1SHBG
SCHEMBL27782291 0.80 OPRM1 (0.39) GAAGBA1SPHK1SHBG
SCHEMBL19066945 0.79 PRKCA (0.36) PRKCA
SCHEMBL43059 0.75 SHBG (0.37) SHBG
SCHEMBL26439240 0.74 SHBG (0.31) SHBG
SCHEMBL12902945 0.72 GAA (0.33) GAAGBA1PRKCA
SCHEMBL12235464 0.72 GAA (0.39) GAASPHK1
SCHEMBL13168808 0.72 HSD17B3 (0.40) GAAGBA1PRKCA
SCHEMBL8513061 0.72 OPRM1 (0.42) GAAGBA1SPHK1
SCHEMBL25392643 0.72 TSHR (0.33)

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
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed