Ethylbenzene

Ethylbenzene

SCHEMBL6033609

CCc1ccccc1.Nc1ccccc1

nearest known ligand 0.74

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.74
TSHR P16473 1/20 0.58
MAOB P27338 7/20 0.54
MAOA P21397 5/20 0.54
TAAR1 Q96RJ0 3/20 0.46
SLC6A2 P23975 1/20 0.46
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KIF11 P52732 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 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
Ethylbenzene SCHEMBL1312847 0.86 TP53 (0.88) TP53MAOATAAR1SLC6A2SMN1; SMN2
Ethylbenzene SCHEMBL9618498 0.86 TP53 (0.88) TP53MAOATAAR1SLC6A2SMN1; SMN2
Ethylbenzene SCHEMBL1331299 0.86
Ethylbenzene SCHEMBL11223212 0.86 TP53 (1.00) TP53TSHRTAAR1MAPTRAB9A
Ethylbenzene SCHEMBL27454352 0.86 TP53 (1.00) TP53TSHRTAAR1MAPTRAB9A
Ethylbenzene SCHEMBL1332452 0.86
Ethylbenzene SCHEMBL3987542 0.86 TP53 (1.00) TP53TSHRTAAR1MAPTRAB9A
Ethylbenzene SCHEMBL1330604 0.86
Ethylbenzene SCHEMBL7458207 0.86 TP53 (1.00) TP53TSHRTAAR1MAPTRAB9A
Ethylbenzene SCHEMBL27395806 0.86 TP53 (1.00) TP53TSHRTAAR1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1632470-A2 Calcium receptor active molecules NPS PHARMACEUTICALS, INC. (US) 2006-03-08 EP disclosed
EP-1281702-B1 Calcium receptor active molecules NPS PHARMA INC (US) 2005-12-21 EP disclosed
EP-1296142-B1 Screening method for calcium receptor active molecules NPS PHARMA INC (US) 2005-12-07 EP disclosed
EP-1296142-A2 Calcium receptor active molecules NPS PHARMACEUTICALS, INC. (US) 2003-03-26 EP disclosed
EP-1281702-A2 Calcium receptor active molecules NPS PHARMACEUTICALS, INC. (US) 2003-02-05 EP disclosed
EP-0657029-A4 CALCIUM RECEPTOR ACTIVE MOLECULES. NPS PHARMA INC (US) 1996-02-07 EP disclosed
EP-0657029-A1 CALCIUM RECEPTOR ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 1995-06-14 EP disclosed
WO-1993004373-A1 CALCIUM RECEPTOR ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 1993-03-04 WO disclosed