SCHEMBL11577384

SCHEMBL11577384

CCCCCCCCCCCC(=O)OC(=O)C(CCCCCCCCCC)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
ALDH1A1 P00352 6/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MGLL Q99685 2/20 0.44
ASAH2 Q9NR71 1/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 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
SCHEMBL11577377 0.91 MAPT (0.49) MAPTALDH1A1L3MBTL1BCL9CTNNB1
SCHEMBL9091623 0.85 MAPT (0.57) MAPTALDH1A1L3MBTL1BCL9CTNNB1
SCHEMBL11063250 0.84 MAPT (0.53) MAPTALDH1A1L3MBTL1BCL9CTNNB1
SCHEMBL11060688 0.84 MAPT (0.53) MAPTALDH1A1L3MBTL1BCL9CTNNB1
SCHEMBL11064795 0.84 MAPT (0.53) MAPTALDH1A1L3MBTL1BCL9CTNNB1
SCHEMBL11578616 0.82 ASAH1 (0.48) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL31404165 0.82 BCL9 (0.58) MAPTALDH1A1L3MBTL1BCL9CTNNB1
SCHEMBL29836400 0.82 BCL9 (0.58) MAPTALDH1A1L3MBTL1BCL9CTNNB1
SCHEMBL30071720 0.82 BCL9 (0.58) MAPTALDH1A1L3MBTL1BCL9CTNNB1
SCHEMBL10358150 0.81 MAPT (0.45) MAPTALDH1A1L3MBTL1BCL9CTNNB1

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-4097665-A Diacylnucleosides and process for preparing the same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1978-06-27 US disclosed