SCHEMBL19558205

SCHEMBL19558205

CCC(C)CCC(=O)NC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
CRBN Q96SW2 1/20 0.31
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL25074186 0.86 TSHR (0.38) ALDH1A1KMT2AKDM4EMAPTHDAC3
SCHEMBL13759768 0.83 ALDH1A1 (0.36) ALDH1A1KMT2AMAPTHDAC3HDAC4
SCHEMBL28546869 0.83 ALDH1A1 (0.36) ALDH1A1KMT2AKDM4EMAPTHDAC3
SCHEMBL25695856 0.80 CA1 (0.46) ALDH1A1KMT2AKDM4EMAPTCRBN
SCHEMBL19370781 0.78 CA1 (0.40) ALDH1A1KMT2AKDM4EMAPTCRBN
SCHEMBL11860524 0.78 HDAC8 (0.52) ALDH1A1KDM4EHDAC3HDAC4HDAC1
SCHEMBL23553380 0.78 LMNA (0.43) ALDH1A1KMT2AHDAC3HDAC4HDAC1
SCHEMBL18723202 0.77 FAAH (0.53) ALDH1A1KMT2AMEN1FAAHMAPK1
SCHEMBL17804496 0.77 CTSD (0.54) ALDH1A1KMT2AKDM4EMAPTHDAC3
SCHEMBL16133498 0.75 SMN1; SMN2 (0.47) ALDH1A1KMT2AKDM4EMAPTMEN1

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-9809571-B2 Deoxyuridine triphosphatase inhibitors UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-11-07 US disclosed