SCHEMBL27465829

SCHEMBL27465829

O=C(Cc1ccccc1)OC(=O)C(F)Nc1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PAM P19021 1/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
TTR P02766 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
CYP2C9 P11712 1/20 0.41
TBXA2R P21731 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
PTPN7 P35236 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
DUSP3 P51452 1/20 0.41

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
SCHEMBL27901387 0.80 NLRP3 (0.41) P2RX7ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL2906104 0.76 TSHR (0.49) P2RX7ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL7759545 0.75 HTT (0.45) P2RX7ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL10952749 0.74 ALDH1A1 (0.50) P2RX7ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL7797988 0.73 HTT (0.48) P2RX7ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL535940 0.72 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1HTTTDP1
SCHEMBL28770289 0.72 TSHR (0.45) ALDH1A1MAPK1L3MBTL1HTTTDP1
SCHEMBL11408628 0.72 HTT (0.47) P2RX7ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL27595528 0.70 HTT (0.43) P2RX7ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL8644037 0.70 TSHR (0.40) P2RX7ALDH1A1MAPK1L3MBTL1HTT

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
CN-1138027-A Nitric esters from derivatives of 2-(2,6-dihalophenylamino) phenylacetoxyacetic acid and their preparation procedures PRODES SA (ES) 1996-12-18 CN disclosed