SCHEMBL3397954

SCHEMBL3397954

COCCOCc1c(C=O)oc2ccc(F)c(C3CCCCC3)c12

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL722516 0.71 KMT2A (0.39) MEN1ALDH1A1KMT2A
SCHEMBL716873 0.62 NPC1 (0.47) MEN1ALDH1A1HTTKMT2A
SCHEMBL20526971 0.59 LMNA (0.42) MEN1ALDH1A1HTTKMT2A
SCHEMBL717463 0.59 KMT2A (0.44) MEN1ALDH1A1KMT2A
SCHEMBL29659605 0.55 ABCB1 (0.44) KMT2A
SCHEMBL19670017 0.55 ALDH1A1 (0.49) ALDH1A1HTT
SCHEMBL38651179 0.55
SCHEMBL1942607 0.55 ABCB1 (0.40) MEN1ALDH1A1HTTKMT2A
SCHEMBL7732631 0.54 EPHX2 (0.35) MEN1ALDH1A1HTTKMT2A
SCHEMBL22380056 0.54 ACHE (0.38) ALDH1A1KMT2A

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
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed