SCHEMBL9767683

SCHEMBL9767683

O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@H]2[C@H]1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDPK1 O15530 1/20 0.39
MTOR P42345 1/20 0.39
BCHE P06276 2/20 0.39
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
SLC6A2 P23975 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
DPP4 P27487 1/20 0.35
ACHE P22303 1/20 0.35
GRM2 Q14416 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
SCHEMBL7922102 1.00 POLB (0.40) POLBGAAMAPK1NPSR1PDPK1
SCHEMBL12221533 1.00 POLB (0.40) POLBGAAMAPK1NPSR1PDPK1
SCHEMBL4870268 0.95 POLB (0.39) POLBGAAMAPK1NPSR1PDPK1
SCHEMBL3331155 0.95 POLB (0.41) POLBGAAMAPK1NPSR1PDPK1
SCHEMBL2744122 0.95 POLB (0.41) POLBGAAMAPK1NPSR1PDPK1
SCHEMBL4873069 0.95 POLB (0.39) POLBGAAMAPK1NPSR1PDPK1
SCHEMBL8457514 0.95 POLB (0.41) POLBGAAMAPK1NPSR1PDPK1
SCHEMBL7751731 0.95 POLB (0.41) POLBGAAMAPK1NPSR1PDPK1
SCHEMBL4870229 0.93 POLB (0.38) POLBGAAMAPK1NPSR1PDPK1
SCHEMBL7911469 0.93 POLB (0.40) POLBGAAMAPK1NPSR1PDPK1

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
US-5026898-A Cell process controllers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-25 US disclosed
US-4924023-A MEDICINE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-08 US disclosed
US-4873355-A Process for regioselectively preparing phosphorylated inositols and other cyclitols E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-10 US disclosed