SCHEMBL10997335

SCHEMBL10997335

CCOC(=O)CCN(c1nc(N2CCCC2)ncc1C(=O)OCC)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ ALOX15 P16050 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ PDE4B Q07343 1/20 0.40
▸ PTPN11 Q06124 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NR2F2 P24468 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL10993583 0.83 ALDH1A1 (0.39) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL10991726 0.80 ALDH1A1 (0.44) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL12929652 0.80 ALDH1A1 (0.63) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL3531655 0.79 MEN1 (0.50) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL12929736 0.79 ALDH1A1 (0.61) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL3291033 0.78 MEN1 (0.49) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL12929669 0.74 ALDH1A1 (0.56) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL28059200 0.74 POLB (0.68) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL14626215 0.74 MAPT (0.57) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL12929545 0.73 ALDH1A1 (0.55) MAPTMEN1KMT2AKDM4EALDH1A1

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-4556709-A BACTERICIDES, FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 — — US disclosed
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