SCHEMBL21779581

SCHEMBL21779581

CCC(C)/C=C/CCCCCCCCN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 2/20 0.37
SLC6A5 Q9Y345 2/20 0.37
TSHR P16473 1/20 0.37
EPHX1 P07099 1/20 0.37
MAPT P10636 3/20 0.37
GMNN O75496 2/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 2/20 0.37
POLB P06746 2/20 0.37
THRB P10828 2/20 0.37
CETP P11597 2/20 0.37
MAPK1 P28482 2/20 0.37
CXCR5 P32302 2/20 0.37
CCR6 P51684 2/20 0.37
BLM P54132 2/20 0.37
UBE2N P61088 2/20 0.37
SPHK2 Q9NRA0 2/20 0.37

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
SCHEMBL19828938 0.91 MEN1 (0.32) MEN1KMT2AALDH1A1MAPTGMNN
SCHEMBL7966247 0.91 MEN1 (0.32) MEN1KMT2AALDH1A1MAPTGMNN
SCHEMBL2008602 0.83 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTGMNN
SCHEMBL11972972 0.83 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTGMNN
SCHEMBL11972970 0.83 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTGMNN
SCHEMBL2008600 0.83 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTGMNN
SCHEMBL2005037 0.80 MEN1 (0.47) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL2005039 0.80 MEN1 (0.47) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL1486690 0.78 MEN1 (0.39) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL28474387 0.78 MEN1 (0.39) MEN1KMT2AALDH1A1TSHRMAPT

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-2654794-B1 MATERIALS AND METHODS FOR CONJUGATING A WATER SOLUBLE FATTY ACID DERIVATIVE TO A PROTEIN Baxalta GmbH (CH) 2020-03-04 EP disclosed