SCHEMBL19245804

SCHEMBL19245804

CCCCCCC(C)C1CN(CC(C)(C)O)C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.38
GBA1 P04062 1/20 0.36
SPHK1 Q9NYA1 1/20 0.33
FDPS P14324 1/20 0.33
GLB1 P16278 1/20 0.33

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
SCHEMBL19661491 0.90
SCHEMBL21250677 0.81
SCHEMBL19245802 0.77 GLB1 (0.34) GUSBGBA1GLB1
SCHEMBL19661534 0.77 SPHK1 (0.39) GUSBSPHK1
SCHEMBL19661508 0.77 SPHK1 (0.39) GUSBSPHK1
SCHEMBL10119954 0.75 MAP3K12 (0.31)
SCHEMBL19135667 0.75 SPHK1 (0.36) SPHK1
SCHEMBL26066305 0.75 GLB1 (0.32) GUSBGBA1GLB1
SCHEMBL19135669 0.74 KMT2A (0.37) SPHK1
SCHEMBL19661527 0.74 KMT2A (0.37) SPHK1

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
US-9730939-B2 Heterocyclylamines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-08-15 US disclosed