SCHEMBL6007175

SCHEMBL6007175

COc1ccccc1Cc1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 2/20 0.53
TTR P02766 1/20 0.48
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
IDO1 P14902 3/20 0.47
ABCB1 P08183 2/20 0.47
CNR2 P34972 1/20 0.47
BCHE P06276 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
IDH1 O75874 1/20 0.44

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
SCHEMBL27854439 0.85 ABCB1 (0.63) CALM1GABRA1GABRG2GABRB3GABRA3
SCHEMBL25798793 0.81 ABCB1 (0.62) CALM1ABCB1CNR2HTR1A
SCHEMBL27606503 0.80 CALM1 (0.44) CALM1GABRA1GABRG2GABRB3GABRA3
SCHEMBL14243461 0.80 CALM1 (0.59) CALM1TTR
SCHEMBL621779 0.80 HTR1A (0.58) IDO1ABCB1HTR1AADRA1DADRA1A
SCHEMBL9147925 0.79 HSP90AB1 (0.44) TTR
SCHEMBL27502952 0.78 MRGPRX4 (0.66)
SCHEMBL3455690 0.78 BCHE (0.70) BCHEHTR2AHTR2C
SCHEMBL29098359 0.78 ALOX5 (0.61)
SCHEMBL5801725 0.78 ALOX5 (0.56) TTR

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-1706442-A1 PROTON-CONDUCTING MEMBRANE AND USE THEREOF Pemeas GmbH (DE) 2006-10-04 EP disclosed
WO-2005063852-A1 PROTON-CONDUCTING MEMBRANE AND USE THEREOF PEMEAS GMBH (DE) 2005-07-14 WO disclosed