SCHEMBL7751818

SCHEMBL7751818

CCCCCO[C@@H]1[C@H](OCCCCC)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 4/20 0.52
LPAR1 Q92633 2/20 0.52
LPAR2 Q9HBW0 2/20 0.52
GBA1 P04062 5/20 0.50
PDPK1 O15530 1/20 0.46
MTOR P42345 1/20 0.46
ITPR3 Q14573 5/20 0.43
ITPR2 Q14571 1/20 0.42
ITPR1 Q14643 1/20 0.42
INPPL1 O15357 1/20 0.42
AKT1 P31749 1/20 0.42
SMPD1 P17405 1/20 0.40

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
SCHEMBL3080816 1.00 LPAR3 (0.52) LPAR3LPAR1LPAR2GBA1PDPK1
SCHEMBL3086336 1.00 LPAR3 (0.52) LPAR3LPAR1LPAR2GBA1PDPK1
SCHEMBL3081758 0.98 LPAR3 (0.55) LPAR3LPAR1LPAR2GBA1PDPK1
SCHEMBL3086058 0.98 LPAR3 (0.55) LPAR3LPAR1LPAR2GBA1PDPK1
SCHEMBL8496685 0.94 PDPK1 (0.47) LPAR3LPAR1LPAR2GBA1PDPK1
SCHEMBL3069188 0.94 PDPK1 (0.47) LPAR3LPAR1LPAR2GBA1PDPK1
SCHEMBL8500649 0.94 PDPK1 (0.47) LPAR3LPAR1LPAR2GBA1PDPK1
SCHEMBL3073627 0.94 PDPK1 (0.47) LPAR3LPAR1LPAR2GBA1PDPK1
SCHEMBL3075480 0.88 GBA1 (0.66) LPAR3LPAR1LPAR2GBA1ITPR3
SCHEMBL14094694 0.87 PDPK1 (0.42) LPAR3LPAR1LPAR2GBA1PDPK1

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 3 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
WO-1998011901-A1 INOSITOL POLYPHOSPHATE DERIVATIVES AND METHODS OF USING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-03-26 WO claimed