SCHEMBL3903078

SCHEMBL3903078

Cc1cccc(CC=O)c1-c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.38
POLB P06746 3/20 0.37
TP53 P04637 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 5/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
DPP4 P27487 1/20 0.35
S1PR4 O95977 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL3902114 0.78 TAAR1 (0.52) LTA4HPOLBTP53TDP1GAA
SCHEMBL1133289 0.77 MGAM (0.47) LTA4HPOLBTDP1GAAMGAM
SCHEMBL3902061 0.75 S1PR4 (0.36) TP53GAAS1PR4MAPTKDM4E
SCHEMBL3904012 0.73 CYP46A1 (0.36) POLBGAAMGAMSIMGAM2
SCHEMBL5050611 0.71 MYC (0.44) DPP4ALDH1A1
SCHEMBL13042664 0.71 CD44 (0.45) POLBTDP1DPP4ALDH1A1KDM4E
SCHEMBL6371894 0.71 CD44 (0.45) LTA4HPOLBTDP1GAAMGAM
SCHEMBL3364100 0.70 ESR1 (0.41) TP53GAAMAPTALDH1A1GLA
SCHEMBL168282 0.69 TAAR1 (0.46) POLBGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL29767673 0.69 TAAR1 (0.46) POLBGAAMAPTALDH1A1SMN1; 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 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