SCHEMBL8274869

SCHEMBL8274869

O=C(NCc1ccc(-c2ccccc2OCCN2CCOCC2)cc1)[C@H](O)CC(=O)N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.57
▸ USP2 O75604 1/20 0.52
▸ POLB P06746 3/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HTR1A P08908 4/20 0.46
▸ DRD2 P14416 4/20 0.46
▸ HTR7 P34969 4/20 0.46
▸ HTR6 P50406 4/20 0.46
▸ ALDH1A1 P00352 7/20 0.45
▸ HTT P42858 1/20 0.45
▸ ABL1 P00519 1/20 0.44
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44
▸ LYN P07948 1/20 0.44
▸ TUBA3C P0DPH7 1/20 0.44
▸ BCR P11274 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ TUBA1B P68363 1/20 0.44
▸ TUBA4A P68366 1/20 0.44

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
SCHEMBL8274902 0.88 KDM4E (0.57) KDM4EUSP2POLBL3MBTL1SMN1; SMN2
SCHEMBL8215109 0.78 KDM4E (0.45) KDM4EUSP2POLBL3MBTL1HTR1A
SCHEMBL8273724 0.71 ADAM17 (0.49) KDM4EPOLBALDH1A1HTTKMT2A
SCHEMBL13542436 0.70 ADAM17 (0.46) KDM4EPOLBL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL8215093 0.70 ADAM17 (0.48) KDM4EL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL8223831 0.70 ADAM17 (0.48) KDM4EPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL6778574 0.70 KDM4E (0.59) KDM4EUSP2POLBL3MBTL1SMN1; SMN2
SCHEMBL6778571 0.70 KDM4E (0.59) KDM4EUSP2POLBL3MBTL1SMN1; SMN2
SCHEMBL8223839 0.69 ADAM17 (0.51) POLBALDH1A1HTTKMT2ALMNA
SCHEMBL8275719 0.68 HTT (0.60) KDM4EPOLBSMN1; SMN2ALDH1A1HTT

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-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
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