SCHEMBL9411316

SCHEMBL9411316

COc1ccc(C(CCC2CCN(C(C)=O)CC2)=NO)c(OC(C)=O)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ACHE P22303 6/20 0.40
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ QDPR P09417 1/20 0.36
▸ HTR4 Q13639 5/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35

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
SCHEMBL9411362 0.88 MAPT (0.42) ALDH1A1L3MBTL1ACHEMEN1KMT2A
Acetic Acid SCHEMBL9411324 0.86 MAPT (0.43) ALDH1A1L3MBTL1ACHEMEN1KMT2A
SCHEMBL9411321 0.84 HTR4 (0.42) ALDH1A1L3MBTL1ACHEMEN1KMT2A
SCHEMBL9411502 0.82 TP53 (0.41) ACHEMEN1KMT2AQDPRDRD2
SCHEMBL9411189 0.77 ALDH1A1 (0.41) ALDH1A1L3MBTL1MEN1KMT2ACYP2C19
SCHEMBL9411366 0.77 HTR4 (0.46) ALDH1A1L3MBTL1ACHEQDPRHTR4
SCHEMBL9411289 0.76 ALDH1A1 (0.44) ALDH1A1ACHEKMT2ACYP2C19QDPR
Acetic Acid SCHEMBL9411509 0.75 ALDH1A1 (0.42) ALDH1A1ACHEKMT2ACYP2C19QDPR
SCHEMBL9411589 0.73 MAPT (0.44) ALDH1A1L3MBTL1ACHEMEN1KMT2A
SCHEMBL9411390 0.72 RAB9A (0.42) ALDH1A1ACHEMEN1KMT2A

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-0602242-A1 BENZISOXAZOLE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-22 — — EP disclosed
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