SCHEMBL9575508

SCHEMBL9575508

CC(C)OCC(CN1C(=O)c2ccccc2C1=O)OCOC(COC(C)C)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 4/20 0.41
CASP3 P42574 1/20 0.40
RAD52 P43351 1/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RPS6KA2 Q15349 1/20 0.38

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
SCHEMBL9193226 0.88 KMT2A (0.43) KMT2AL3MBTL1MAPK1ALDH1A1RAB9A
SCHEMBL9575717 0.78 MAPK1 (0.67) KMT2AL3MBTL1MAPK1ALDH1A1RAB9A
SCHEMBL19523407 0.75 L3MBTL1 (0.47) KMT2AL3MBTL1ALDH1A1CASP3HPGD
SCHEMBL31284913 0.73 KMT2A (0.50) KMT2AL3MBTL1MAPK1ALDH1A1RAB9A
SCHEMBL17127742 0.73 KMT2A (0.50) KMT2AL3MBTL1MAPK1ALDH1A1RAB9A
SCHEMBL18658571 0.73 KMT2A (0.44) KMT2AMAPK1ALDH1A1RAB9AHPGD
SCHEMBL9340887 0.73 ALDH1A1 (0.53) KMT2AMAPK1ALDH1A1RAB9ACASP3
SCHEMBL4482770 0.73 ALDH1A1 (0.53) KMT2AL3MBTL1ALDH1A1RAB9ACASP3
SCHEMBL30377710 0.73 ALDH1A1 (0.53) KMT2AL3MBTL1ALDH1A1RAB9ACASP3
SCHEMBL9575755 0.72 MAPK1 (0.59) KMT2AL3MBTL1MAPK1ALDH1A1RAB9A

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