SCHEMBL6937392

SCHEMBL6937392

COC(=O)c1ccc(C(COC(=O)c2ccccc2)OC(=O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
ALDH1A1 P00352 3/20 0.51
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
RAB9A P51151 5/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 1/20 0.47
AGTR1 P30556 1/20 0.47
PRKCA P17252 1/20 0.46
UTS2R Q9UKP6 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ROCK2 O75116 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL19214520 0.88 ALDH1A1 (0.61) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL15382001 0.84 NPC1 (0.54) ALDH1A1ADRB2ADRB1ADRB3RAB9A
SCHEMBL13809630 0.84 TSHR (0.59) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL9487484 0.83 ALDH1A1 (0.52) ALDH1A1ADRB2ADRB1ADRB3RAB9A
SCHEMBL14996377 0.82 ESR1 (0.62) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL9488091 0.82 MAPT (0.49) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL9488693 0.81 GAA (0.50) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL8549773 0.80 ESR1 (0.50) TSHRALDH1A1RAB9AMAPTNPC1
SCHEMBL8549771 0.80 ALDH1A1 (0.59) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL9490214 0.80 ALDH1A1 (0.44) ALDH1A1ADRB2ADRB1ADRB3RAB9A

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