SCHEMBL6940992

SCHEMBL6940992

O=C(OC(=O)c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
HPGD P15428 6/20 0.63
KDM4E B2RXH2 6/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
GLA P06280 2/20 0.63
HSD17B10 Q99714 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C19 P33261 1/20 0.63
L3MBTL1 Q9Y468 3/20 0.49
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 2/20 0.41
CYP3A4 P08684 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
SCHEMBL31240530 1.00 ALDH1A1 (0.63) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL27717730 0.88 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL27722649 0.85 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL12910945 0.85 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL10559440 0.83 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL1478705 0.83 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL27647578 0.82 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL10771128 0.81 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL503035 0.81 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL22978747 0.80 KDM4E (0.60) ALDH1A1HPGDKDM4EMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
CN-1262276-A Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2000-08-09 CN disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed