Sugi Predict

Sugi Predict / Compounds / SCHEMBL5075643

SCHEMBL5075643

SCHEMBL5075643

CC(C)NCCOC(=O)OC1CC2C=CC1C2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL5076224 0.82 EPHX2 (0.33) EPHX2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL5352666 0.80 KDM4E (0.33) EPHX2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL5074410 0.80 EPHX2 (0.35) EPHX2ALDH1A1KDM4ELMNA
SCHEMBL5076871 0.79 CHRM2 (0.36) ALDH1A1
SCHEMBL26212351 0.79 KDM4E (0.34) EPHX2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL2139171 0.78 ALDH1A1 (0.46) EPHX2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL5182162 0.78 KDM4E (0.42) EPHX2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL5365496 0.78 ALDH1A1 (0.37) EPHX2ALDH1A1KDM4ELMNA
SCHEMBL14449006 0.78 KDM4E (0.47) EPHX2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL4402348 0.78 KDM4E (0.47) EPHX2ALDH1A1KDM4ELMNAKMT2A

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
EP-1937734-A2 BIOCIDAL POLYMERS KE-KELIT Kunststoffwerk Gesellschaft m.b.H. (AT) 2008-07-02 — — EP disclosed
WO-2007045634-A2 BIOCIDAL POLYMERS KE KELIT KUNSTSTOFFWERK GESMBH (AT) 2007-04-26 — — WO disclosed