SCHEMBL10853441

SCHEMBL10853441

CC(OCc1ccccc1)C(C)(Br)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 5/20 0.44
PSMB5 P28074 1/20 0.42
TSHR P16473 2/20 0.41
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2689315 0.85 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL14752970 0.79 RCE1 (0.44) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL16326323 0.78 TSHR (0.44) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL12162627 0.78 TSHR (0.44) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL11911980 0.78 TSHR (0.44) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL2382417 0.77 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL2382412 0.77 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL138280 0.77 KMT2A (0.56) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL1706675 0.77 KMT2A (0.56) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL138281 0.77 KMT2A (0.56) SLC1A3SLC1A2SLC1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4584396-A Substituted phenoxypropionates and herbicidal compositions NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-04-22 US disclosed
EP-0068260-B1 SUBSTITUTED PHENOXYPROPIONATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-03-05 EP disclosed
US-4441913-A PRE- AND POST-EMERGENCE NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-10 US disclosed
EP-0068260-A2 Substituted phenoxypropionates, process for their preparation and their use as herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-01-05 EP disclosed