SCHEMBL8601155

SCHEMBL8601155

O=C(O)C#Cc1ccc(I)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.56
TPMT P51580 1/20 0.44
FFAR1 O14842 7/20 0.44
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL9629232 0.88 FFAR1 (0.50) APPFFAR1GABRPGABRDGABRA1
SCHEMBL6653836 0.79 APP (0.53) APPFFAR1GABRPGABRDGABRA1
SCHEMBL68968 0.78 NPSR1 (0.59) APPFFAR1NPSR1VCPFFAR4
Benzene SCHEMBL28174766 0.78 NPSR1 (0.59) APPFFAR1NPSR1VCPFFAR4
SCHEMBL670335 0.77 VCP (0.58) FFAR1GABRPGABRDGABRA1GABRB1
SCHEMBL3151444 0.77 FFAR1 (0.52) APPFFAR1GABRPGABRDGABRA1
SCHEMBL7118049 0.77 GSK3B (0.48) FFAR1GABRPGABRDGABRA1GABRB1
SCHEMBL4149218 0.77 FFAR1 (0.44) FFAR1GABRPGABRDGABRA1GABRB1
Guanidine SCHEMBL10490342 0.77 FFAR1 (0.44) APPFFAR1GABRPGABRDGABRA1
SCHEMBL2636129 0.77 TSHR (0.44) FFAR1GABRPGABRDGABRA1GABRB1

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-0821677-A1 OXAZOLINE AND THIAZOLINE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-02-04 EP disclosed
WO-1996033180-A1 OXAZOLINE AND THIAZOLINE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-10-24 WO disclosed