SCHEMBL5795366

SCHEMBL5795366

C=CCC1=C(OC(=O)O)CCCC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL582217 0.73 KDM4E (0.30) L3MBTL1
SCHEMBL5695315 0.73
SCHEMBL22496022 0.72
Bicarbonate SCHEMBL5795371 0.72 MEN1 (0.31) MEN1KMT2A
SCHEMBL11809142 0.72 MEN1 (0.33) MEN1KMT2A
SCHEMBL2696185 0.71 CYP3A4 (0.31) MEN1CYP3A4KMT2A
SCHEMBL25369782 0.70 GABRA1 (0.39) MEN1CYP3A4KMT2ATDP1L3MBTL1
SCHEMBL31618516 0.68 MEN1 (0.33) MEN1KMT2A
SCHEMBL2699373 0.66
SCHEMBL7729587 0.66 XDH (0.34) MEN1KMT2A

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-2006019673-A2 JIADIFENIN ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2006-02-23 WO disclosed