SCHEMBL10659072

SCHEMBL10659072

C=CC(N)C(F)CCC(N)(C(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ODC1 P11926 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL10657241 0.73 GRIK1 (0.42) BLMSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL10657720 0.73 GRIK1 (0.42) BLMSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL10606428 0.60 EPHX1 (0.34)
SCHEMBL11849715 0.58 ODC1 (0.43) BLMMEN1CYP2D6TSHRNFKB1
SCHEMBL4081475 0.58 SLC6A2 (0.37) BLMSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL28099391 0.57 MEN1 (0.43) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4970548 0.57 TSHR (0.39) BLMSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL349876 0.57 THRB (0.54) BLMSLC6A2SLC6A3MEN1CYP2D6
SCHEMBL11534069 0.55 KMT2A (0.47) BLMSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL11534068 0.55 KMT2A (0.47) BLMSLC6A2SLC6A4SLC6A3MEN1

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-4730006-A BACTERICIDES MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-08 US disclosed