SCHEMBL7749062

SCHEMBL7749062

C=CCO[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1OCCCCC

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 8/20 0.70
TSHR P16473 2/20 0.38
SLC2A1 P11166 1/20 0.37
TNF P01375 1/20 0.34
AKT1 P31749 2/20 0.34
AKT2 P31751 2/20 0.34
AKT3 Q9Y243 2/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
BCHE P06276 1/20 0.32
ACHE P22303 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
SCHEMBL7749078 1.00 GBA1 (0.70) GBA1TSHRSLC2A1TNFAKT1
SCHEMBL14000856 0.88 GBA1 (0.52) GBA1TSHRSLC2A1TNFBCHE
SCHEMBL3269289 0.86 GBA1 (0.50) GBA1TSHRSLC2A1BCHEACHE
SCHEMBL7750204 0.85 GBA1 (0.95) GBA1TSHRTNF
SCHEMBL3652751 0.83 GBA1 (0.91) GBA1TSHRTNF
SCHEMBL17833025 0.83 GBA1 (1.00) GBA1TSHRTNF
SCHEMBL14000857 0.81 GBA1 (0.41) GBA1TSHR
SCHEMBL15326653 0.81 GBA1 (0.41) GBA1TSHR
SCHEMBL3649428 0.81 GBA1 (0.96) GBA1TSHRTNF
SCHEMBL15326549 0.81 GBA1 (0.41) GBA1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0954320-A4 INOSITOL POLYPHOSPHATE DERIVATIVES AND METHODS OF USING SAME UNIV CALIFORNIA (US) 2001-04-04 EP claimed
EP-0954320-A1 INOSITOL POLYPHOSPHATE DERIVATIVES AND METHODS OF USING SAME The Regents of the University of California (US) 1999-11-10 EP claimed
US-5880099-A ALTERING CHLORIDE ION SECRETION ACROSS CELL MEMBRANE BY CONTACTING CELL WITH CELL PERMEABLE AGONIST OR ANTAGONIST OF INOSITOL POLYPHOSPHATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-03-09 US claimed
WO-1998011901-A1 INOSITOL POLYPHOSPHATE DERIVATIVES AND METHODS OF USING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-03-26 WO claimed