SCHEMBL8335994

SCHEMBL8335994

CCOC(=O)Cc1ccc(COC)c(N(C)C(=O)OC(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 3/20 0.33
PRMT5 O14744 2/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 2/20 0.33
PTPRB P23467 1/20 0.33
MAPK1 P28482 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33

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
SCHEMBL8236816 0.84 KMT2A (0.40) KMT2AMEN1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL8325510 0.82 TUBB4A (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8324933 0.81 PAX8 (0.36) L3MBTL1KDM4ETUBB4ATUBBTUBA3C
SCHEMBL852663 0.76 KMT2A (0.42) KMT2AMEN1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL19820663 0.71 MEN1 (0.68) KMT2AMEN1SMN1; SMN2TP53MAPT
SCHEMBL4070313 0.70 ALDH1A1 (0.40) KDM4EMAPTALDH1A1LMNAHSD17B10
SCHEMBL7041342 0.68 L3MBTL1 (0.41) KMT2AMEN1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL6368471 0.65 BRD4 (0.44) L3MBTL1SMN1; SMN2PKMMAPTNPC1
SCHEMBL8226698 0.65 MTNR1A (0.35) KMT2AMEN1L3MBTL1KDM4EALDH1A1
SCHEMBL31576701 0.65 SMN1; SMN2 (0.34) KMT2AMEN1SMN1; SMN2TUBB4ATUBB

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
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed