SCHEMBL7811580

SCHEMBL7811580

CCOC(=O)C(C(=O)OCC)c1cc(F)cc(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NR1H4 Q96RI1 1/20 0.45
ALDH1A1 P00352 1/20 0.45
FFAR1 O14842 1/20 0.45
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MMP8 P22894 1/20 0.43
MAOB P27338 4/20 0.42
PPARG P37231 1/20 0.42
ALOX5 P09917 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
SCHEMBL2716599 0.81 LMNA (0.68) LMNAL3MBTL1NR1H4ALDH1A1FFAR1
SCHEMBL348286 0.81 LMNA (0.51) LMNAL3MBTL1KMT2AMEN1NR1H4
SCHEMBL27388036 0.80 L3MBTL1 (0.50) LMNAL3MBTL1KMT2AMEN1NR1H4
SCHEMBL3654240 0.79 FFAR1 (0.56) KMT2AMEN1FFAR1PSEN1PSEN2
SCHEMBL3653937 0.79 FFAR1 (0.56) KMT2AMEN1FFAR1PSEN1PSEN2
SCHEMBL136471 0.79 MAOB (0.54) LMNAL3MBTL1KMT2AMEN1NR1H4
SCHEMBL491296 0.78 LMNA (0.46) LMNAL3MBTL1KMT2AMEN1NR1H4
SCHEMBL2070278 0.78 LMNA (0.49) LMNAL3MBTL1KMT2AMEN1NR1H4
SCHEMBL21323277 0.78 ALOX5 (0.47) LMNAL3MBTL1KMT2AMEN1FFAR1
SCHEMBL2505640 0.78 PSEN1 (0.44) LMNAL3MBTL1KMT2AMEN1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1093536-C 5-lipoxygenase inhibitors PFIZER (US) 2002-10-30 CN disclosed
EP-0787127-B1 5-LIPOXYGENASE INHIBITORS PFIZER (US) 2001-01-03 EP disclosed
US-6063928-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, CARDIOTONIC AGENTS PFIZER INC (US) 2000-05-16 US disclosed
US-5883106-A 5-lipoxygenase inhibitors PFIZER INC. (US) 1999-03-16 US disclosed
CN-1169722-A 5-lipoxygenase inhibitors PFIZER (US) 1998-01-07 CN disclosed
EP-0787127-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1997-08-06 EP disclosed
WO-1996011911-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1996-04-25 WO disclosed