SCHEMBL7739656

SCHEMBL7739656

ClCCOCC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.38
SPHK2 Q9NRA0 4/20 0.38
GBA1 P04062 2/20 0.37
UGCG Q16739 2/20 0.37
GBA2 Q9HCG7 2/20 0.37
NAAA Q02083 1/20 0.36
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL9431801 0.87
SCHEMBL2000546 0.80 CTSL (0.36) SPHK1SPHK2GBA1UGCGGBA2
SCHEMBL23039739 0.79 CTSL (0.41) SPHK1SPHK2GBA1UGCGGBA2
SCHEMBL869115 0.79 CTSL (0.41) SPHK1SPHK2GBA1UGCGGBA2
SCHEMBL29101108 0.79 CTSL (0.41) SPHK1SPHK2GBA1UGCGGBA2
SCHEMBL379081 0.79 CTSL (0.41) SPHK1SPHK2GBA1UGCGGBA2
SCHEMBL16239892 0.79 CTSL (0.41) SPHK1SPHK2GBA1UGCGGBA2
SCHEMBL20265993 0.78 SPHK1 (0.42) SPHK1SPHK2GBA1UGCGGBA2
SCHEMBL11022936 0.77 CYP1A2 (0.46) NAAA
SCHEMBL10993458 0.77

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-6410748-B1 Alicycli c group-containing monomer KABUSHIKI KAISHA TOSHIBA (JP) 2002-06-25 US disclosed