SCHEMBL27746503

SCHEMBL27746503

COC(=O)C(O)(c1ccccc1)C(O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ HPGD P15428 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CYP26A1 O43174 1/20 0.43
▸ CYP2C19 P33261 1/20 0.42
▸ KCNN4 O15554 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ CYP19A1 P11511 1/20 0.41

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
SCHEMBL27746530 0.88 POLB (0.49) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL27746383 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1HPGDCYP2C19
SCHEMBL28773515 0.86 KMT2A (0.43) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL27725709 0.80 ALDH1A1 (0.53) ALDH1A1NPSR1KCNN4MAPT
SCHEMBL4285619 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL27746379 0.78 PRSS1 (0.46) KDM4EKMT2AMEN1KCNN4MAPT
SCHEMBL9778344 0.75 POLB (0.58) ALDH1A1POLBKMT2AMEN1NPC1
SCHEMBL2880324 0.74 KMT2A (0.57) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL6751636 0.73 POLB (0.47) ALDH1A1POLBKMT2AMEN1NPC1
SCHEMBL16651165 0.71 ALDH1A1 (0.72) ALDH1A1KDM4EKMT2AMEN1NPC1

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
CN-101274894-B Preparation for alpha, beta-di-hydroxyl carboxylic ether compound UNIV EAST CHINA NORMAL 2011-06-01 — — CN disclosed
CN-101274894-A Preparation for alpha, beta-di-hydroxyl carboxylic ether compound UNIV EAST CHINA NORMAL (CN) 2008-10-01 — — CN disclosed
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