SCHEMBL9575755

SCHEMBL9575755

O=C1c2ccccc2C(=O)N1CC(COCOCC(CN1C(=O)c2ccccc2C1=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
CASP3 P42574 4/20 0.48
KMT2A Q03164 2/20 0.41
GRM5 P41594 2/20 0.41
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CTRB1 P17538 1/20 0.37

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
SCHEMBL9575717 0.89 MAPK1 (0.67) MAPK1CASP3KMT2AGRM5RAB9A
SCHEMBL9194960 0.88 MAPK1 (0.53) MAPK1CASP3KMT2ARAB9AL3MBTL1
SCHEMBL29342211 0.84 MAPK1 (0.51) MAPK1CASP3KMT2AGRM5RAB9A
SCHEMBL23144183 0.81 MAPK1 (0.67) MAPK1CASP3KMT2AGRM5RAB9A
SCHEMBL10949349 0.77 MAPK1 (0.57) MAPK1CASP3KMT2AGRM5TDP1
SCHEMBL9575753 0.75 TSHR (0.52) MAPK1KMT2A
SCHEMBL8935885 0.75 MAPK1 (0.58) MAPK1CASP3KMT2ARAB9ATDP1
SCHEMBL8935936 0.74 MAPK1 (1.00) MAPK1KMT2ARAB9AMAPTALDH1A1
SCHEMBL8935897 0.74 MAPK1 (0.70) MAPK1CASP3KMT2ARAB9ATDP1
SCHEMBL34464933 0.74 MAPK1 (0.55) MAPK1CASP3KMT2AGRM5RAB9A

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