SCHEMBL3903077

SCHEMBL3903077

CC(=O)c1cccc(C)c1-c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
THRB P10828 1/20 0.42
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
S1PR4 O95977 1/20 0.42
MYC P01106 1/20 0.41
TSHR P16473 1/20 0.41
PKM P14618 1/20 0.40
RAB9A P51151 3/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BAZ2B Q9UIF8 1/20 0.39

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
SCHEMBL12006048 0.87 MYC (0.53) KDM4ELMNAALDH1A1CTNNB1WNT3A
SCHEMBL2417966 0.87 PKM (0.43) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL21384935 0.83 KDM4E (0.49) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL1133289 0.80 MGAM (0.47) MAPTKDM4EALDH1A1GAAL3MBTL1
SCHEMBL7510205 0.77 MAPT (0.46) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL27204316 0.74 BAZ2B (0.53) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL10549571 0.73 KDM4E (0.46) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL3902060 0.73 BRD4 (0.44) MAPTKDM4EALDH1A1S1PR4MYC
SCHEMBL24573794 0.73 HPGD (0.56) KDM4EALDH1A1GAAGLASMN1; SMN2
SCHEMBL6371894 0.73 CD44 (0.45) MAPTKDM4EALDH1A1GAAL3MBTL1

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-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed