SCHEMBL365940

SCHEMBL365940

CC(=O)[C@](c1ccc(C#C[Si](C)(C)C)cc1)(c1ccnc(C)c1)c1ccccc1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.34
GABRA1 P14867 3/20 0.31
GABRG2 P18507 3/20 0.31
GABRB3 P28472 3/20 0.31
GABRA5 P31644 3/20 0.31
GABRA3 P34903 3/20 0.31
GABRA2 P47869 3/20 0.31
GABRA6 Q16445 2/20 0.31
GABRA4 P48169 1/20 0.31
ACACB O00763 1/20 0.30

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
SCHEMBL363769 0.87 PTPN1 (0.33) FFAR1
SCHEMBL365152 0.87 PTPN1 (0.33) FFAR1
SCHEMBL364143 0.86 FFAR1 (0.35) FFAR1
SCHEMBL363061 0.84 KCNN4 (0.34)
SCHEMBL362081 0.83 HSD17B1 (0.33)
SCHEMBL363211 0.82 NPC1 (0.34)
SCHEMBL364193 0.82 NPC1 (0.34)
SCHEMBL363549 0.82 NPC1 (0.34)
SCHEMBL363654 0.81 HDAC4 (0.36)
SCHEMBL363702 0.81 NPC1 (0.39)

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-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed