SCHEMBL7773733

SCHEMBL7773733

NC(=O)CCNC(=O)C(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.42
ALDH1A1 P00352 4/20 0.33
USP2 O75604 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
ALOX15 P16050 2/20 0.32
BLM P54132 2/20 0.32
PMP22 Q01453 2/20 0.32
ALDH1A2 O94788 1/20 0.32
ALDH2 P05091 1/20 0.32
ALDH1A3 P47895 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3891772 0.79 ECE1 (0.43) ECE1ALDH1A1USP2KMT2AMEN1
SCHEMBL7773749 0.77 ALDH1A1 (0.58) ECE1ALDH1A1USP2KMT2AMEN1
SCHEMBL4780583 0.77 ECE1 (0.50) ECE1ALDH1A1USP2KMT2AMEN1
SCHEMBL7771108 0.76 METAP1 (0.35) ALDH1A1USP2MAPTALOX15BLM
SCHEMBL20233949 0.76 ECE1 (0.49) ECE1ALDH1A1USP2KMT2AMEN1
SCHEMBL10901475 0.74 ECE1 (0.40) ECE1ALDH1A1USP2KMT2AMEN1
SCHEMBL4293765 0.73
SCHEMBL21914925 0.73
SCHEMBL14813266 0.73
SCHEMBL10364556 0.72 ECE1 (0.50) ECE1ALDH1A1USP2KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed