SCHEMBL5048664

SCHEMBL5048664

CC(=O)Oc1ccc(OCCCBr)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 2/20 0.50
MAPT P10636 4/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
ESR1 P03372 2/20 0.46
ELANE P08246 1/20 0.46
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ESRRB O95718 2/20 0.43
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
TTR P02766 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL8350895 0.85 TP53 (0.56) LMNAL3MBTL1GAACYP3A4TP53
SCHEMBL7668759 0.82 ESR1 (0.54) LMNAL3MBTL1GAAMAPTESR1
SCHEMBL9517976 0.81 ELANE (0.59) LMNAL3MBTL1GAAMAPTPKM
SCHEMBL1334332 0.81 L3MBTL1 (0.79) LMNAL3MBTL1GAAMAPTPOLB
SCHEMBL2406965 0.81 TP53 (0.62) LMNAL3MBTL1CYP3A4TP53SMN1; SMN2
SCHEMBL10623263 0.81 GAA (0.58) LMNAL3MBTL1GAAMAPTPOLB
SCHEMBL8984333 0.81 L3MBTL1 (0.56) LMNAL3MBTL1GAAMAPTPOLB
SCHEMBL8674737 0.81 LMNA (0.55) LMNAL3MBTL1GAAMAPTPOLB
SCHEMBL19024978 0.81 GAA (0.58) LMNAL3MBTL1GAAMAPTPKM
SCHEMBL8072237 0.80 TP53 (0.65) LMNAGAACYP3A4TP53SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951653-A1 SALICYLIC ACID DERIVATIVES NicOx S.A. (FR) 2008-08-06 EP disclosed
WO-2007060112-A1 SALICYLIC ACID DERIVATIVES NICOX S.A. (FR) 2007-05-31 WO disclosed
EP-0342664-B1 2,2-disubstituted benzopyran leukotriene-D4 antagonists SEARLE & CO (US) 1993-12-15 EP disclosed
US-5093353-A 2,2-di-substituted benzopyran leukotriene-D4 antagonists G. D. SEARLE & CO. (US) 1992-03-03 US disclosed
EP-0342664-A2 2,2-disubstituted benzopyran leukotriene-D4 antagonists G.D. Searle & Co. (US) 1989-11-23 EP disclosed