SCHEMBL8306757

SCHEMBL8306757

COC(=O)c1ccc(C)c(OCCCl)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A3 Q01959 1/20 0.35
MAPK1 P28482 2/20 0.35
PKM P14618 2/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL558904 0.82 SMN1; SMN2 (0.53) POLBHPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL19700944 0.78 ALDH1A1 (0.41) HPGDSMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL12777764 0.77 TSHR (0.49) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8308697 0.76 MAPT (0.37) SMN1; SMN2ALDH1A1MAPTTDP1LMNA
SCHEMBL1354839 0.76 SMN1; SMN2 (0.47) POLBHPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL29559950 0.76 SMN1; SMN2 (0.47) POLBHPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL27928235 0.76 POLB (0.39) POLBHPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL8307192 0.75 SMN1; SMN2 (0.46) POLBHPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL12777765 0.75 PKM (0.43) POLBHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL23095997 0.74 SMN1; SMN2 (0.53) POLBHPGDSMN1; SMN2ALDH1A1MEN1

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
EP-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed