SCHEMBL9539600

SCHEMBL9539600

CN(C)CCCOc1cccc2c1C(=O)c1c(ccc(CO)c1O)C2=O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.53
CTSG P08311 7/20 0.53
KDM4E B2RXH2 1/20 0.44
KCNA3 P22001 1/20 0.43
HTR1B P28222 1/20 0.43

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
SCHEMBL9539391 0.94 ELANE (0.53) ELANECTSGKDM4EHTR1B
Hydrochloric Acid SCHEMBL9542178 0.89 ELANE (0.51) ELANECTSGKDM4EKCNA3
Hydrochloric Acid SCHEMBL9538665 0.89 ELANE (0.51) ELANECTSGKDM4EKCNA3
Hydrochloric Acid SCHEMBL9539416 0.83 ELANE (0.51) ELANECTSGKDM4EKCNA3
Hydrochloric Acid SCHEMBL9540764 0.83 ELANE (0.51) ELANECTSGKDM4EKCNA3
SCHEMBL9542191 0.83 MAOA (0.53) ELANECTSGKDM4EKCNA3HTR1B
SCHEMBL16226244 0.80 ELANE (0.76) ELANECTSG
SCHEMBL11604034 0.80 KCNA3 (0.65) KDM4EKCNA3HTR1B
SCHEMBL9539438 0.80 ELANE (0.48) ELANECTSGKDM4E
Hydrochloric Acid SCHEMBL11604535 0.79 KCNA3 (0.63) KDM4EKCNA3HTR1B

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