SCHEMBL8303386

SCHEMBL8303386

O=C(OCc1ccccc1)c1cccc(OCc2ccccc2)c1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
ALDH1A1 P00352 2/20 0.58
TDP1 Q9NUW8 3/20 0.56
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SGMS2 Q8NHU3 2/20 0.50
TSHR P16473 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 2/20 0.49
PTGER1 P34995 1/20 0.49

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
SCHEMBL29179269 0.87 ALDH1A1 (0.56) HTTALDH1A1TDP1NPC1POLB
SCHEMBL6470514 0.86 PTGER1 (0.59) HTTALDH1A1NPC1L3MBTL1LMNA
SCHEMBL4415350 0.86 HTT (0.75) HTTALDH1A1TDP1NPC1POLB
SCHEMBL9574717 0.84 HTT (0.73) HTTALDH1A1TDP1NPC1POLB
SCHEMBL20819599 0.84 MAPT (0.56) TDP1NPC1L3MBTL1LMNAMAPT
SCHEMBL21022925 0.84 ALDH1A1 (0.59) HTTALDH1A1TDP1NPC1POLB
SCHEMBL27867043 0.83 ALDH1A1 (0.63) ALDH1A1TDP1NPC1POLBL3MBTL1
SCHEMBL16319063 0.82 L3MBTL1 (0.63) HTTALDH1A1TDP1POLBL3MBTL1
SCHEMBL15845855 0.82 HTT (0.62) HTTALDH1A1TDP1NPC1POLB
SCHEMBL27976971 0.82 POLB (0.59) HTTALDH1A1TDP1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832078-B1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1999-10-20 EP disclosed
US-5814648-A N-hydroxyureas as antiinflammatory agents PFIZER INC. (US) 1998-09-29 US disclosed
EP-0832078-A1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996040659-A1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1996-12-19 WO disclosed