SCHEMBL9575545

SCHEMBL9575545

C1CCC(OCC(COC2CCCCC2)OCOC(COC2CCCCC2)COC2CCCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 2/20 0.30
HTT P42858 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9575317 0.98 NPC1 (0.34) NPC1KDM4EPRMT5WDR77
SCHEMBL9575787 0.89 KDM4E (0.32) NPC1KDM4EMAPTALDH1A1
SCHEMBL9575677 0.86 KDM4E (0.30) KDM4E
SCHEMBL9197811 0.80 EPHX1 (0.33) KDM4EMAPTHTTALDH1A1
SCHEMBL9019792 0.78 EPHX1 (0.31) KDM4E
SCHEMBL16004199 0.72 NPC1 (0.38) NPC1KDM4EPRMT5WDR77MAPT
SCHEMBL16004201 0.72 NPC1 (0.38) NPC1KDM4EPRMT5WDR77MAPT
SCHEMBL9517342 0.72 NPC1 (0.48) NPC1
SCHEMBL196700 0.72 NPC1 (0.48) NPC1
SCHEMBL13907638 0.71 KDM4E (0.49) NPC1KDM4EPRMT5WDR77MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225550-A PROCESS FOR THE PREPARATION OF SUBSTITUTED ACYCLIC NUCLEOSIDES, AND INTERMEDIATES OCCURRING THEREIN HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed
EP-0464511-A2 Process for the preparation of acyclic, substituted nucleosides and its intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-08 EP disclosed