SCHEMBL22622366

SCHEMBL22622366

CC1CCN(C(=O)C#CC(=O)N2CCCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.44
HPGD P15428 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL19353399 0.83 ALDH1A1 (0.43) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL20892899 0.83 ALDH1A1 (0.43) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL19353256 0.81 ALDH1A1 (0.54) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL10264659 0.81 ALDH1A1 (0.54) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL19353266 0.81 ALDH1A1 (0.54) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL24244469 0.77 ALDH1A1 (0.44) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL19943134 0.77 ALDH1A1 (0.44) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL19353374 0.77 ALDH1A1 (0.44) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL19353367 0.76 ALDH1A1 (0.56) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL19353253 0.76 ALDH1A1 (0.56) ALDH1A1LMNAPOLBMEN1KMT2A

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-3445758-B1 DIPROVOCIMS: A NEW AND POTENT CLASS OF TLR AGONISTS SCRIPPS RESEARCH INST (US) 2020-11-04 EP disclosed