SCHEMBL6573770

SCHEMBL6573770

COC(=O)CCCOP(=O)(OCc1ccccc1)OCc1ccccc1.O=C(O)CCCOP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
FOLH1 Q04609 1/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CETP P11597 3/20 0.44
HTT P42858 1/20 0.44
LTA4H P09960 1/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL6576055 0.96 LMNA (0.48) TSHRFOLH1KDM4ELMNAALDH1A1
SCHEMBL6575683 0.90 TSHR (0.51) TSHRFOLH1CETPHTTHDAC3
SCHEMBL9939056 0.85 MAPT (0.51) TSHRFOLH1ALDH1A1CETPHTT
SCHEMBL5472579 0.81 TSHR (0.55) TSHRFOLH1ALDH1A1CETPHTT
SCHEMBL23067163 0.80 TSHR (0.44) TSHRFOLH1ALDH1A1CETPMAPK1
SCHEMBL2365443 0.78 TSHR (0.57) TSHRCETP
SCHEMBL26699446 0.77 ALDH1A1 (0.46) TSHRKDM4ELMNAALDH1A1CETP
SCHEMBL4109675 0.77 LMNA (0.54) TSHRKDM4ELMNAALDH1A1HTT
SCHEMBL5424748 0.75 TSHR (0.50) TSHRCETP
SCHEMBL4948490 0.75 CYP3A4 (0.59) TSHRALDH1A1CETPMAPK1

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-1427710-A2 METHOD FOR THE PRODUCTION OF CNA Nanogen Recognomics GmbH (DE) 2004-06-16 EP disclosed
WO-2003016561-A2 METHOD FOR THE PRODUCTION OF CNA NANOGEN RECOGNOMICS GMBH (DE) 2003-02-27 WO disclosed