SCHEMBL7759545

SCHEMBL7759545

O=C(CNc1c(Cl)cccc1Cl)OC(=O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
P2RX7 Q99572 2/20 0.43
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PAM P19021 1/20 0.41
TTR P02766 2/20 0.41
AKR1B10 O60218 1/20 0.41
UGT1A9 O60656 1/20 0.41
TRPA1 O75762 1/20 0.41
ABCB11 O95342 1/20 0.41
MT-CO2 P00403 1/20 0.41
ALB P02768 1/20 0.41
CXCL8 P10145 1/20 0.41
UGT1A6 P19224 1/20 0.41
UGT1A1 P22309 1/20 0.41
PTGS1 P23219 1/20 0.41
CXCR1 P25024 1/20 0.41
ADRA1A P35348 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
SCHEMBL7797988 0.77 HTT (0.48) HTTTDP1P2RX7MAPK1ALDH1A1
SCHEMBL28467654 0.77 NLRP3 (0.42) MAPK1ALDH1A1TTRAKR1B10UGT1A9
SCHEMBL3396111 0.77 KMT2A (0.43) P2RX7MAPK1TTRAKR1B10UGT1A9
SCHEMBL248113 0.77 ALDH1A1 (0.65) MAPK1ALDH1A1L3MBTL1PAMKMT2A
SCHEMBL28535131 0.76 KMT2A (0.42) P2RX7MAPK1TTRAKR1B10UGT1A9
SCHEMBL3636581 0.76 KMT2A (0.42) P2RX7MAPK1TTRAKR1B10UGT1A9
SCHEMBL11408628 0.76 HTT (0.47) HTTTDP1P2RX7MAPK1ALDH1A1
SCHEMBL27465829 0.75 P2RX7 (0.43) HTTTDP1P2RX7MAPK1ALDH1A1
SCHEMBL8370090 0.74 KMT2A (0.57) HTTTDP1MAPK1ALDH1A1L3MBTL1
Acetic Acid SCHEMBL28825732 0.73 HTT (0.45) HTTTDP1P2RX7MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082290-A1 PROCESS FOR THE PREPARATION OF ACECLOFENAC RUSSINSKY LIMITED (IE) 2001-03-14 EP disclosed
WO-1999055660-A1 PROCESS FOR THE PREPARATION OF ACECLOFENAC RUSSINSKY LIMITED (IE) 1999-11-04 WO disclosed