SCHEMBL6934398

SCHEMBL6934398

O=C(CC(C(=O)Oc1ccccc1)C(CC(=O)Oc1ccccc1)C(=O)Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP19A1 P11511 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
ELANE P08246 2/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
BCHE P06276 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37

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
SCHEMBL9244141 0.83 ATM (0.45) ATML3MBTL1CYP19A1TDP1MAPT
SCHEMBL3627609 0.81 ELANE (0.47) ATML3MBTL1CYP19A1MAPTALDH1A1
SCHEMBL7709512 0.81 ATM (0.44) ATML3MBTL1CYP19A1TDP1MAPT
SCHEMBL1870721 0.81 LMNA (0.50) ATML3MBTL1CYP19A1MAPTALDH1A1
SCHEMBL27833901 0.80 CYP19A1 (0.49) ATML3MBTL1CYP19A1TDP1MAPT
SCHEMBL1592207 0.79 ATM (0.41) ATML3MBTL1CYP19A1TDP1MAPT
SCHEMBL29146094 0.79 ELANE (0.45) ATML3MBTL1CYP19A1TDP1MAPT
SCHEMBL4251422 0.78 CYP19A1 (0.51) ATML3MBTL1CYP19A1TDP1MAPT
SCHEMBL666155 0.78 POLB (0.47) ATML3MBTL1CYP19A1MAPTALDH1A1
SCHEMBL28575374 0.78 CYP19A1 (0.47) ATML3MBTL1CYP19A1TDP1MAPT

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