SCHEMBL2332290

SCHEMBL2332290

O=Cc1ccc(OCCC2CCCN2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.47
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHEK2 O96017 1/20 0.43

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
SCHEMBL3580473 0.96 LTA4H (0.48) LTA4HHPGDALDH1A1LMNAMAPT
SCHEMBL2482746 0.81 NFE2L2 (0.58) LTA4HCHEK2
SCHEMBL7956624 0.81 LTA4H (0.48) LTA4HCHEK2
SCHEMBL11456190 0.81 LTA4H (0.48) LTA4H
SCHEMBL11447699 0.81 LTA4H (0.61) LTA4H
SCHEMBL11447734 0.81 LTA4H (0.67) LTA4H
SCHEMBL11457974 0.81 CHRNB4 (0.49) LTA4H
SCHEMBL11455721 0.81 LTA4H (0.48) LTA4H
SCHEMBL11448511 0.81 CHRNA3 (0.50) LTA4HCHEK2
SCHEMBL6610063 0.80 LTA4H (0.57) LTA4HHRH2

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-2892537-A1 METHODS FOR THE TREATMENT OF LOCALLY ADVANCED BREAST CANCER Celgene Corporation (US) 2015-07-15 EP disclosed
WO-2014039960-A1 METHODS FOR THE TREATMENT OF LOCALLY ADVANCED BREAST CANCER CELGENE CORPORATION (US) 2014-03-13 WO disclosed
EP-2536706-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME Celgene Corporation (US) 2012-12-26 EP disclosed
WO-2011100380-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2011-08-18 WO disclosed