SCHEMBL14263356

SCHEMBL14263356

CC(C)C(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 1/20 0.60
▸ MEN1 O00255 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ ITPR1 Q14643 1/20 0.47
▸ GBA1 P04062 2/20 0.46
▸ P2RY2 P41231 1/20 0.45
▸ HTR3A P46098 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ SLC5A2 P31639 3/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.40
▸ USP2 O75604 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL10293759 0.91 P2RY6 (0.64) P2RY6MEN1THRBRECQLBLM
SCHEMBL12716296 0.90 P2RY6 (0.62) P2RY6MEN1THRBRECQLBLM
SCHEMBL22204520 0.89 P2RY6 (0.69) P2RY6MEN1THRBRECQLBLM
SCHEMBL31756958 0.89 P2RY6 (0.69) P2RY6MEN1THRBRECQLBLM
SCHEMBL17702684 0.88 P2RY6 (0.64) P2RY6MEN1THRBRECQLBLM
SCHEMBL14049043 0.87 P2RY6 (0.67) P2RY6MEN1THRBRECQLBLM
SCHEMBL18286480 0.87 P2RY6 (0.60) P2RY6MEN1THRBRECQLBLM
SCHEMBL12307301 0.85 MEN1 (0.64) P2RY6MEN1THRBRECQLBLM
SCHEMBL29631727 0.85 P2RY6 (0.65) P2RY6MEN1THRBRECQLBLM
Trifluoroacetic Acid SCHEMBL22204560 0.85 P2RY6 (0.62) P2RY6MEN1THRBRECQLBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230193361-A1 METHODS AND COMPOSITIONS USEFUL FOR NUCLEIC ACID SEQUENCING FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-22 — — US disclosed
US-7348437-B2 Proteomic analysis THE SCRIPPS RESEARCH INSTITUTE (US) 2008-03-25 — — US disclosed
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