SCHEMBL16480192

SCHEMBL16480192

CCOC(=O)OC1=C(c2c(C)cc(I)cc2C)C(=O)N2CCCCC12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 7/20 0.34
▸ GABRA5 P31644 7/20 0.34
▸ GABRG2 P18507 6/20 0.34
▸ GABRB3 P28472 6/20 0.34
▸ GABRA3 P34903 6/20 0.34
▸ GABRA2 P47869 5/20 0.34
▸ GABRA6 Q16445 5/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ GAA P10253 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GPR174 Q9BXC1 1/20 0.32

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
SCHEMBL13357367 0.90 GABRA1 (0.33) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL13168023 0.87 GABRA1 (0.33) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL13527231 0.85 GABRA1 (0.30) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL13059536 0.85 HTR2A (0.35) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL13527448 0.84 CDK5 (0.32) —
SCHEMBL14411023 0.81 GABRA1 (0.35) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL10267137 0.79 PDCD1 (0.35) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL9883900 0.78 KDM4E (0.36) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL14411079 0.78 GABRA1 (0.38) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL13527244 0.77 CDK5 (0.33) KMT2AMEN1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629084-B2 Iodine-phenyl-substituted cyclic cetoenols BAYER CROPSCIENCE AG (DE) 2014-01-14 — — US disclosed
Send feedback