SCHEMBL23502901

SCHEMBL23502901

CC(C)NCCNC(=O)c1cccc(OCC(N=[N+]=[N-])OCCOCC(=O)OC(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CHRM2 P08172 1/20 0.34

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
SCHEMBL23879737 0.94 GAA (0.35) GAAMAPTNR1H4KMT2AADRB2
SCHEMBL21575547 0.92 GAA (0.36) GAAMAPTNR1H4KMT2AALDH1A1
SCHEMBL23809545 0.91 GAA (0.35) GAAMAPTNR1H4KMT2AALDH1A1
SCHEMBL23106299 0.90 GAA (0.38) GAAMAPTNR1H4KMT2AADRB2
SCHEMBL22327368 0.89 GAA (0.43) GAAMAPTNR1H4KMT2AADRB2
SCHEMBL22327386 0.89 NR1H4 (0.41) GAAMAPTNR1H4KMT2AADRB2
SCHEMBL22327367 0.87 GAA (0.48) GAAMAPTNR1H4KMT2AADRB2
SCHEMBL23879738 0.87 NR1H4 (0.39) GAAMAPTNR1H4KMT2AADRB2
SCHEMBL23957822 0.86 GAA (0.43) GAAMAPTNR1H4KMT2AADRB2
SCHEMBL23106232 0.85 SMN1; SMN2 (0.37) GAAMAPTKMT2AADRB2ADRB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119780-A1 ENGINEERED PYROCOCCUS ENZYMES AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2022-04-21 — — US disclosed
US-20220119779-A1 MODIFIED PYROCOCCUS POLYMERASES AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2022-04-21 — — US disclosed
US-11136565-B2 Modified archaeal family B polymerases Singular Genomics Systems, Inc. (US) 2021-10-05 — — US disclosed
US-11034942-B1 Modified pyrococcus polymerases and uses thereof Singular Genomics Systems, Inc. (US) 2021-06-15 — — US disclosed
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