SCHEMBL22219742

SCHEMBL22219742

CC(C)COc1cccc(C(=O)NCCOCCOCCOCNC(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.52
▸ KAT6A Q92794 2/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ F10 P00742 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ MAOB P27338 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ ADRB3 P13945 1/20 0.43

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
SCHEMBL22219850 0.91 MAPT (0.54) NR1H4KAT6AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL24002288 0.88 NR1H4 (0.53) NR1H4KAT6AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL22327061 0.86 NR1H4 (0.58) NR1H4KAT6AKMT2AALDH1A1MAPT
SCHEMBL22327159 0.86 MAPT (0.55) NR1H4KAT6AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL26068727 0.84 GAA (0.53) NR1H4KAT6AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL22598297 0.84 MAPT (0.55) NR1H4KAT6AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL26168185 0.82 GAA (0.53) KMT2ASMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL26068358 0.81 GAA (0.48) KMT2ASMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL26068352 0.81 GAA (0.48) KMT2ASMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL26068339 0.80 GAA (0.48) KMT2ASMN1; SMN2ALDH1A1MAPTGAA

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
WO-2020146397-A1 NUCLEOTIDE CLEAVABLE LINKERS AND USES THEREOF Singular Genomics Systems, Inc. (US) 2020-07-16 — — WO disclosed
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