SCHEMBL4624663

SCHEMBL4624663

CCCOc1cc(C)ccc1P(C(=O)c1c(OCC)cccc1OCC)C(=O)c1c(OCC)cccc1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KCNMA1 Q12791 1/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL4624922 0.84 TSHR (0.43) MAPTL3MBTL1HPGDTDP1TSHR
SCHEMBL4707486 0.75 L3MBTL1 (0.42) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL4623708 0.71 THRA (0.48) MAPTLMNA
SCHEMBL16502112 0.70 MAPT (0.61) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL12520349 0.69 ITGB1 (0.43) MAPTL3MBTL1RAB9ATSHRALDH1A1
SCHEMBL29424084 0.68 ITGB1 (0.47) TSHRTP53
SCHEMBL9712657 0.67 KMT2A (0.57) L3MBTL1RAB9AALDH1A1LMNAPTPN1
SCHEMBL7960697 0.67 MAPT (0.51) MAPTL3MBTL1TDP1TSHRALDH1A1
SCHEMBL22492932 0.67 CA12 (0.45) MAPTRAB9AATMKCNMA1ALDH1A1
SCHEMBL14974921 0.66 CYP1A2 (0.53) MAPTL3MBTL1RAB9AHPGDTDP1

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
EP-1215044-B1 A laser engravable flexographic printing element and a method for forming a printing plate from the element DU PONT (US) 2008-05-21 EP claimed