SCHEMBL18771122

SCHEMBL18771122

CCCCOC(C)(C)OCCCN

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
EPHX1 P07099 1/20 0.42
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
CYP3A4 P08684 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
ODC1 P11926 1/20 0.36
CA9 Q16790 2/20 0.32

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
SCHEMBL10041227 0.90 ODC1 (0.43) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL2138838 0.87 ADRB2 (0.43) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL15256845 0.86 DNM1 (0.56) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL18771217 0.86 DNM1 (0.42) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL18771123 0.83 DNM1 (0.43) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL15256842 0.82 DNM1 (0.44) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL13092148 0.80 ADRB2 (0.38) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL9886696 0.80 DNM1 (0.42) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL9498994 0.79 CA1 (0.42) MEN1KMT2ATSHRCA1CA2
SCHEMBL19662531 0.79 ODC1 (0.35) ALDH1A1TSHRODC1

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
US-9631049-B2 Agents for reworkable epoxy resins CONNORA TECHNOLOGIES, INC. (US) 2017-04-25 US disclosed