SCHEMBL9542150

SCHEMBL9542150

O=C1c2cccc(OCCN3CCOCC3)c2C(=O)c2c1ccc(CO)c2O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.46
ELANE P08246 6/20 0.45
MAPK14 Q16539 3/20 0.45
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
CTSG P08311 1/20 0.43
MAOB P27338 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL9539407 0.95 USP2 (0.53) KDM4EPOLBL3MBTL1USP2ELANE
Hydrochloric Acid SCHEMBL9540751 0.90 KDM4E (0.47) KDM4EPOLBL3MBTL1USP2ELANE
Hydrochloric Acid SCHEMBL9539606 0.90 KDM4E (0.47) KDM4EPOLBL3MBTL1USP2ELANE
SCHEMBL9538718 0.89 ELANE (0.48) KDM4EPOLBELANECTSG
Hydrochloric Acid SCHEMBL9539433 0.85 USP2 (0.48) KDM4EPOLBL3MBTL1USP2ELANE
Hydrochloric Acid SCHEMBL9538663 0.85 USP2 (0.48) KDM4EPOLBL3MBTL1USP2ELANE
SCHEMBL9540788 0.85 KDM4E (0.55) KDM4EPOLBL3MBTL1USP2MAPK14
SCHEMBL9539438 0.84 ELANE (0.48) KDM4EPOLBELANECTSG
SCHEMBL7795798 0.81 KDM4E (0.57) KDM4EPOLBL3MBTL1USP2DRD1
SCHEMBL9539615 0.80 KDM4E (0.55) KDM4EPOLBL3MBTL1USP2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993005054-A1 OXAZAPHOSPHORINES USEFUL AS ANTITUMOR AGENTS, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1993-03-18 WO disclosed