SCHEMBL28167754

SCHEMBL28167754

COc1cccc(OC)c1-c1ccc(C2CCCCC2)c(C2CCCCC2)c1P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.42
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NR3C1 P04150 2/20 0.38
POLL Q9UGP5 1/20 0.38
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
PTPN5 P54829 2/20 0.35
PTPN2 P17706 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 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
SCHEMBL19643363 0.87 CA1 (0.36) ABCB1PTPN5PTPN2PTGDR2HPGD
SCHEMBL29396495 0.79 ABCB1 (0.50) ABCB1KMT2AMEN1NR3C1POLL
SCHEMBL20577705 0.79 ABCB1 (0.50) ABCB1KMT2AMEN1NR3C1POLL
SCHEMBL22275 0.78 ABCB1 (0.47) ABCB1KMT2AMEN1NR3C1POLL
SCHEMBL27679150 0.78 PTPN5 (0.44) KMT2AMEN1ADORA2AADORA2BPTPN5
SCHEMBL28005452 0.75 ROCK2 (0.39) PTPN5PTPN2PTGDR2
SCHEMBL641745 0.75 PTPN5 (0.37) PTPN5PTPN2ALDH1A1TDP1MAPT
SCHEMBL28204910 0.74 ABCB1 (0.60) ABCB1KMT2AMEN1POLLPTGDR2
Phosphine SCHEMBL11895753 0.73 ABCB1 (0.45) ABCB1KMT2AMEN1NR3C1POLL
SCHEMBL1662295 0.72 ABCB1 (0.46) ABCB1KMT2AMEN1POLLPTGDR2

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
CN-103601609-B The luxuriant and rich with fragrance chromophore of single benzo [9,10] in phosphorescent light emitting diode 通用显示公司 2017-07-28 CN disclosed