SCHEMBL4624419

SCHEMBL4624419

COc1ccc(P(C(=O)c2c(C)cc(C)cc2C)C(=O)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
LMNA P02545 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL19180233 0.88 NPC1 (0.43) ALDH1A1HPGDHTTLMNAKMT2A
SCHEMBL4716254 0.82 MAPT (0.48) ALDH1A1HTTKMT2AMEN1TSHR
SCHEMBL17923177 0.76 ABCB1 (0.45) ALDH1A1HTTKMT2AMEN1L3MBTL1
SCHEMBL2573879 0.76 KMT2A (0.39) HPGDLMNAKMT2AMEN1RAB9A
SCHEMBL4625923 0.74 FFAR4 (0.40) ALDH1A1HPGDFFAR4KMT2APOLB
SCHEMBL27747354 0.74 ALDH1A1 (0.43) ALDH1A1CYP3A4HPGDRAPGEF4GABRG2
Lithium SCHEMBL7190242 0.72 ALDH1A1 (0.39) ALDH1A1HPGDHTTLMNATSHR
SCHEMBL2004137 0.71 ABCB1 (0.37) HPGDHTTLMNAKMT2AMEN1
SCHEMBL4629635 0.71 FOS (0.37) ALDH1A1HPGDHTTLMNAL3MBTL1
SCHEMBL4625910 0.71 HDAC1 (0.35) ALDH1A1HPGDHTTLMNAKMT2A

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