SCHEMBL5720159

SCHEMBL5720159

Nc1cc(C(F)(F)F)ccc1Oc1ccccc1C(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CFTR P13569 1/20 0.42
LMNA P02545 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ATM Q13315 1/20 0.42
RAB9A P51151 1/20 0.41
CCR1 P32246 1/20 0.41
CCR2 P41597 1/20 0.41
IDO1 P14902 3/20 0.40
TDO2 P48775 3/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL8076970 0.87 L3MBTL1 (0.52) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8081645 0.86 L3MBTL1 (0.43) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9185703 0.83 L3MBTL1 (0.41) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3833670 0.83 KDM4E (0.59) MAPTKDM4EALDH1A1HPGDHSD17B10
Diphenylmethanol SCHEMBL5720164 0.83 KDM4E (0.50) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8075178 0.83 ALDH1A1 (0.46) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8081670 0.82 KDM4E (0.40) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL8067090 0.82 SLC6A4 (0.44) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL1365182 0.82 CFTR (0.64) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8075195 0.79 CCR2 (0.66) KDM4ECCR1CCR2KCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841910-A4 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2006-09-13 EP disclosed
EP-0799198-B1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2000-08-30 EP disclosed
EP-0841910-A1 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1998-05-20 EP disclosed
EP-0799198-A4 1997-10-15 EP disclosed
EP-0799198-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-08 EP disclosed
WO-1997004765-A1 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-13 WO disclosed
US-5545669-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORPORATION 1996-08-13 US disclosed
WO-1995033461-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed
WO-1995033460-A1 ANTI-INFLAMMATORY COUMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed
US-5447957-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORP. (US) 1995-09-05 US disclosed