SCHEMBL8632030

SCHEMBL8632030

CCS[C@@H]1O[C@@H]2COC(c3ccccc3)O[C@@H]2[C@H](O)[C@H]1OCCCCC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
SELP P16109 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KLK7 P49862 2/20 0.30
KLK5 Q9Y337 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8627593 0.94 KMT2A (0.43) KMT2AMEN1L3MBTL1SELPKLK7
SCHEMBL8626589 0.89 L3MBTL1 (0.35) KMT2AMEN1L3MBTL1SELPKLK7
SCHEMBL8624559 0.83 L3MBTL1 (0.37) KMT2AMEN1L3MBTL1SELPKLK7
SCHEMBL19682312 0.76 L3MBTL1 (0.53) KMT2AMEN1L3MBTL1SELPALDH1A1
SCHEMBL6704580 0.76 KMT2A (0.49) KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL20936341 0.76 KMT2A (0.49) KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL17636518 0.74 L3MBTL1 (0.47) KMT2AMEN1L3MBTL1SELPALDH1A1
SCHEMBL10073953 0.74 L3MBTL1 (0.47) KMT2AMEN1L3MBTL1SELPALDH1A1
SCHEMBL15197977 0.74 L3MBTL1 (0.43) KMT2AMEN1L3MBTL1SELPALDH1A1
SCHEMBL9909432 0.74 L3MBTL1 (0.43) KMT2AMEN1L3MBTL1SELPALDH1A1

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
US-5747463-A SELECTIN ANTAGONISTS; ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-05 US disclosed