SCHEMBL25133003

SCHEMBL25133003

CC(C)(C)OC(=O)CCCCCCCNC=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.49
ADH1B P00325 3/20 0.44
ADH1A P07327 3/20 0.44
ADH7 P40394 3/20 0.44
ADH1C P00326 2/20 0.44
EPHX1 P07099 1/20 0.44
ADH4 P08319 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HDAC8 Q9BY41 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL308857 0.87 EPHX2 (0.39) EPHX2ADH1BADH1AADH7ADH1C
SCHEMBL28924668 0.82 EPHX2 (0.49) EPHX2TDP1HDAC8ALDH1A1LMNA
SCHEMBL20450540 0.82 EPHX2 (0.49) EPHX2TDP1HDAC8ALDH1A1LMNA
SCHEMBL28587326 0.82 EPHX2 (0.49) EPHX2TDP1HDAC8ALDH1A1LMNA
SCHEMBL3914424 0.82 EPHX2 (0.49) EPHX2TDP1HDAC8ALDH1A1LMNA
SCHEMBL14482719 0.82 EPHX2 (0.49) EPHX2TDP1HDAC8ALDH1A1LMNA
SCHEMBL3251209 0.82 EPHX2 (0.49) EPHX2TDP1HDAC8ALDH1A1LMNA
SCHEMBL14482131 0.82 EPHX2 (0.49) EPHX2TDP1HDAC8ALDH1A1LMNA
SCHEMBL2380206 0.82 EPHX2 (0.49) EPHX2TDP1HDAC8ALDH1A1LMNA
SCHEMBL30661131 0.82 EPHX2 (0.49) EPHX2TDP1HDAC8ALDH1A1LMNA

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-2023057813-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDERS VINCERX PHARMA GMBH (DE) 2023-04-13 WO disclosed