SCHEMBL22657695

SCHEMBL22657695

CC1C(O)C(O)C(O)CN1C[C@@H]1CCCN(c2nc(C(F)(F)F)cs2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 2/20 0.35
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CCR2 P41597 1/20 0.33
▸ OGA O60502 1/20 0.32
▸ DNM1L O00429 1/20 0.32
▸ CXCR3 P49682 5/20 0.32
▸ LMNA P02545 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ RBP4 P02753 1/20 0.30
▸ TTR P02766 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ CCNE2 O96020 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL22657525 1.00 LCAT (0.35) LCATCTSBCTSSCTSKKCNH2
SCHEMBL22657490 1.00 LCAT (0.35) LCATCTSBCTSSCTSKKCNH2
SCHEMBL22657696 1.00 LCAT (0.35) LCATCTSBCTSSCTSKKCNH2
SCHEMBL22657486 1.00 LCAT (0.35) LCATCTSBCTSSCTSKKCNH2
SCHEMBL22668909 0.94 LCAT (0.38) LCATCTSBCTSSCTSKKCNH2
SCHEMBL22657593 0.94 LCAT (0.38) LCATCTSBCTSSCTSKKCNH2
SCHEMBL22657591 0.94 LCAT (0.38) LCATCTSBCTSSCTSKKCNH2
SCHEMBL23996530 0.87 GBA1 (0.36) LCAT
SCHEMBL23996561 0.87 GBA1 (0.36) LCAT
SCHEMBL23996553 0.87 GBA1 (0.36) LCAT

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
WO-2020229968-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2020-11-19 — — WO disclosed
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