SCHEMBL7630871

SCHEMBL7630871

COc1ccc(CI)c(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.49
CHRM2 P08172 2/20 0.49
OPRK1 P41145 2/20 0.49
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.49
SLC6A4 P31645 1/20 0.49
OPRD1 P41143 1/20 0.49
KDM4E B2RXH2 6/20 0.47
TSHR P16473 1/20 0.47
APOBEC3A P31941 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL4340802 0.83 AOC3 (0.53) AOC3SMN1; SMN2CHRM2OPRK1POLB
SCHEMBL8910900 0.82 AOC3 (0.56) AOC3SMN1; SMN2CHRM2OPRK1POLB
SCHEMBL17420764 0.81 SMN1; SMN2 (0.50) SMN1; SMN2POLBCYP1A2KDM4ETSHR
SCHEMBL30883 0.80 AOC3 (0.55) AOC3SMN1; SMN2CHRM2OPRK1POLB
SCHEMBL23931092 0.78 AOC3 (0.53) AOC3SMN1; SMN2CHRM2OPRK1POLB
SCHEMBL2338539 0.78 AOC3 (0.53) AOC3SMN1; SMN2CHRM2OPRK1POLB
SCHEMBL165313 0.78 AOC3 (0.58) AOC3SMN1; SMN2CHRM2OPRK1POLB
SCHEMBL1340134 0.78 AOC3 (0.53) AOC3SMN1; SMN2CHRM2OPRK1POLB
SCHEMBL775238 0.78 AOC3 (0.53) AOC3SMN1; SMN2CHRM2OPRK1POLB
SCHEMBL4678057 0.78 AOC3 (0.53) AOC3SMN1; SMN2CHRM2OPRK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708085-B1 Antiviral ethers of aspartate protease substrate isosteres NOVARTIS AG (CH) 2002-07-17 EP disclosed
US-5935976-A Antiviral ethers of aspartate protease substrate isosteres NOVARTIS CORPORATION (US) 1999-08-10 US disclosed
US-5807891-A RETROVIRUSES NOVARTIS AG (CH) 1998-09-15 US disclosed
US-5663200-A CARBAMOYL PEPTIDE DERIVATIVES AS VIRICIDES CIBA-GEIGY CORPORATION (US) 1997-09-02 US disclosed
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
CN-1132756-A Antiviral ethers of aspartate protease substrate isosteres CIBA GEIGY AG (CH) 1996-10-09 CN disclosed
EP-0708085-A2 Antiviral ethers of aspartate protease substrate isosteres CIBA-GEIGY AG (CH) 1996-04-24 EP disclosed
CN-1112125-A Acyloxyhexanoic acid derivatives CIBA GEIGY AG (CH) 1995-11-22 CN disclosed