SCHEMBL6936798

SCHEMBL6936798

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
NPC1 O15118 3/20 0.55
LMNA P02545 1/20 0.54
ALOX5 P09917 1/20 0.54
ALDH1A1 P00352 4/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ELANE P08246 1/20 0.53
HPGD P15428 3/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL712632 0.93 LMNA (0.61) RAB9ANPC1LMNAALDH1A1GAA
SCHEMBL7152515 0.88 ESR1 (0.53) RAB9ANPC1LMNAALDH1A1GAA
SCHEMBL7152510 0.84 MAPT (0.56) RAB9ANPC1LMNAALDH1A1GAA
SCHEMBL571222 0.82 SMN1; SMN2 (0.66) RAB9ANPC1LMNAALDH1A1GAA
SCHEMBL4586692 0.82 TDP1 (0.63) RAB9ANPC1LMNAALDH1A1GAA
SCHEMBL25782363 0.81 RAB9A (0.60) RAB9ANPC1LMNAALDH1A1GAA
Benzophenone SCHEMBL28111773 0.80 ALDH1A1 (0.67) RAB9ANPC1LMNAALDH1A1GAA
SCHEMBL30150476 0.79 LMNA (0.62) RAB9ANPC1LMNAALDH1A1GAA
SCHEMBL4736146 0.79 LMNA (0.86) RAB9ANPC1LMNAALDH1A1ELANE
SCHEMBL25766489 0.79 GAA (0.51) LMNAALDH1A1GAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1190441-C Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2005-02-23 CN disclosed
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