SCHEMBL7873889

SCHEMBL7873889

CCOC(=O)COc1ccccc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.61
LMNA P02545 6/20 0.61
L3MBTL1 Q9Y468 4/20 0.61
TDP1 Q9NUW8 3/20 0.61
MAPK1 P28482 3/20 0.61
USP2 O75604 2/20 0.56
ABCB1 P08183 1/20 0.56
ALDH1A1 P00352 4/20 0.54
HTT P42858 3/20 0.54
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
SQOR Q9Y6N5 1/20 0.53
GLA P06280 1/20 0.53
RAB9A P51151 1/20 0.53
PAX8 Q06710 1/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL13444686 0.88 ALDH1A1 (0.56) PTPN1LMNAL3MBTL1TDP1MAPK1
SCHEMBL13444685 0.87 L3MBTL1 (0.64) LMNAL3MBTL1TDP1MAPK1USP2
SCHEMBL2010417 0.85 USP2 (0.67) PTPN1LMNAL3MBTL1MAPK1USP2
SCHEMBL13444680 0.84 L3MBTL1 (0.60) LMNAL3MBTL1TDP1MAPK1USP2
SCHEMBL14327977 0.84 L3MBTL1 (0.64) LMNAL3MBTL1TDP1MAPK1USP2
SCHEMBL7030629 0.83 PTPN1 (0.60) PTPN1LMNAL3MBTL1MAPK1USP2
SCHEMBL5285484 0.83 L3MBTL1 (0.59) LMNAL3MBTL1TDP1MAPK1USP2
SCHEMBL30717645 0.83 USP2 (0.61) PTPN1LMNAL3MBTL1MAPK1USP2
SCHEMBL11825493 0.82 GLA (0.68) PTPN1LMNAL3MBTL1MAPK1USP2
SCHEMBL27397039 0.81 KDM4E (0.56) LMNAL3MBTL1MAPK1ALDH1A1SMN1; SMN2

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
US-6329502-B1 VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS; TREATMENT OF AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) JAPAN ENERGY CORPORATION (JP) 2001-12-11 US disclosed
US-6313094-B1 COMPOSITION FOR INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION JAPAN ENERGY CORPORATION (JP) 2001-11-06 US disclosed