SCHEMBL6937832

SCHEMBL6937832

CC(C)(C)OC(=O)c1cccc2cc(I)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA1 P14867 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
PTPN1 P18031 1/20 0.40
AR P10275 2/20 0.39
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
BACE1 P56817 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35
PDE4B Q07343 1/20 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
SCHEMBL4960252 0.83 PTPN1 (0.45) PTPN1KMT2AGAAPOLBNPC1
SCHEMBL974720 0.81 NR4A1 (0.53) PTPN1ADRB2ADRB1ADRB3KMT2A
SCHEMBL1204440 0.80 KDM4E (0.56) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6235824 0.79 CYP4F2 (0.38) PTPN1ARADRB2ADRB1ADRB3
SCHEMBL31395544 0.79 KDM4E (0.54) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL14627192 0.77 AR (0.41) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6883218 0.76 PTPN1 (0.66) PTPN1KMT2AGAAMEN1CDC25B
SCHEMBL5619767 0.73 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL38658331 0.73 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9600264 0.73 EGFR (0.50) GABRG2GABRB3GABRA5GABRA1GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1190441-C Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2005-02-23 CN disclosed
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
CN-1262276-A Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2000-08-09 CN disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed