SCHEMBL21034419

SCHEMBL21034419

CCOC(=O)COc1ncccc1COc1cc(I)c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
MAPK8 P45983 1/20 0.37
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL22488064 0.86 PPOX (0.41) PPOXL3MBTL1ALDH1A1KMT2AATM
SCHEMBL21034416 0.81 THRB (0.40) L3MBTL1ALDH1A1KMT2AMRGPRX4GAA
SCHEMBL21034414 0.79 PTGDR2 (0.47) MRGPRX4MAPK8TSHRTDP1
SCHEMBL21034851 0.76 MAPT (0.39) ALDH1A1KMT2AMRGPRX4TSHRTDP1
SCHEMBL21902914 0.76 PPOX (0.42) PPOXL3MBTL1ALDH1A1KMT2AATM
SCHEMBL22488063 0.76 MAPK8 (0.43) ALDH1A1MAPK8LMNATHRBMAPT
SCHEMBL30704857 0.74 PPOX (0.41) PPOXL3MBTL1ALDH1A1KMT2AATM
SCHEMBL5592842 0.74 PPOX (0.41) PPOXL3MBTL1ALDH1A1KMT2AATM
SCHEMBL30704856 0.74 PPOX (0.41) PPOXL3MBTL1ALDH1A1KMT2AATM
SCHEMBL21039333 0.73 MAPT (0.40) PPOXL3MBTL1ALDH1A1KMT2AATM

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
WO-2019101551-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2019-05-31 WO disclosed