SCHEMBL5500798

SCHEMBL5500798

O=CCc1ccccc1-c1ccco1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 4/20 0.38
MAOB P27338 1/20 0.36
LMNA P02545 2/20 0.36
ALPL P05186 1/20 0.36
POLB P06746 4/20 0.35
MAPT P10636 4/20 0.35
HPGD P15428 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MEN1 O00255 2/20 0.35
PKM P14618 2/20 0.35
ALOX15 P16050 2/20 0.35
CASP1 P29466 2/20 0.35
PTPN7 P35236 2/20 0.35
RECQL P46063 2/20 0.35
BLM P54132 2/20 0.35
CASP7 P55210 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL10566263 0.82 GABRA1 (0.46) ALDH1A1KDM4EMAOBLMNAPOLB
SCHEMBL11281731 0.79 MAOB (0.39) ALDH1A1KDM4EMAOBLMNAALPL
SCHEMBL110763 0.76 DPP4 (0.50) ALDH1A1KDM4ELMNAPOLBMAPT
SCHEMBL477452 0.76 MAPT (0.46) ALDH1A1KDM4ELMNAPOLBMAPT
SCHEMBL9454470 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EMAOBLMNAPOLB
SCHEMBL7430432 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EMAOBLMNAPOLB
SCHEMBL5665316 0.74 AKR1B1 (0.48) ALDH1A1POLBMEN1RECQLKMT2A
SCHEMBL446626 0.73 POLB (0.32) ALDH1A1KDM4ELMNAPOLBMAPT
SCHEMBL30038773 0.73 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAPOLBMAPT
SCHEMBL28546393 0.73 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794157-A1 2-ACYLAMINOTHIAZOLE DERIVATIVES H.Lundbeck A/S (DK) 2007-06-13 EP disclosed
WO-2006032273-A1 2-ACYLAMINOTHIAZOLE DERIVATIVES H. LUNDBECK A/S (DK) 2006-03-30 WO disclosed