SCHEMBL7754985

SCHEMBL7754985

COC(=O)CCOCC(COCCC(=O)OC)(COCCC(=O)OC)COCCC(=O)OC.N#CCCOCC(COCCC#N)(COCCC#N)COCCC#N

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.31
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5839487 0.86 TSHR (0.52) TSHRKMT2AMEN1LMNACA12
SCHEMBL17167809 0.81 MMP2 (0.33) TSHRKMT2AMEN1
SCHEMBL12157779 0.80
SCHEMBL14969719 0.79 TSHR (0.50) TSHRKMT2AMEN1LMNACA12
SCHEMBL20429066 0.79 TSHR (0.44) TSHRKMT2AMEN1LMNACA12
SCHEMBL1344130 0.78 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL17167156 0.78 MEN1 (0.36) KMT2AMEN1
SCHEMBL2229588 0.76
SCHEMBL20099406 0.76
SCHEMBL15697261 0.76 TSHR (0.43) TSHRKMT2AMEN1LMNACA12

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-1073668-A2 SOLUTION PHASE BIOPOLYMER SYNTHESIS Köster, Hubert (US) 2001-02-07 EP disclosed
WO-1999055718-A2 SOLUTION PHASE BIOPOLYMER SYNTHESIS KOESTER HUBERT (US) 1999-11-04 WO disclosed