SCHEMBL20145227

SCHEMBL20145227

CCCCCCOC(C)(OCCCCCC)OCCCCCCN

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
EPHX1 P07099 1/20 0.56
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
CA9 Q16790 6/20 0.38
CA12 O43570 3/20 0.38
CA7 P43166 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA5B Q9Y2D0 2/20 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
SCHEMBL15256852 1.00 DNM1 (0.56) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL15256772 0.98 DNM1 (0.52) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL15256842 0.91 DNM1 (0.44) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL9886671 0.91 DNM1 (0.42) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL11374678 0.89 THRB (0.44) MEN1KMT2ATSHRCA1CA2
SCHEMBL20145107 0.89 THRB (0.44) MEN1KMT2ATSHRCA1CA2
SCHEMBL9886668 0.89 NFKB1 (0.39) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL15256845 0.87 DNM1 (0.56) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL18771217 0.86 DNM1 (0.42) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL15258365 0.86 ODC1 (0.39) DNM1MEN1KMT2AALDH1A1TSHR

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-2646410-B1 NOVEL AGENTS FOR REWORKABLE EPOXY RESINS CONNORA TECH INC (US) 2018-05-16 EP disclosed