SCHEMBL6936388

SCHEMBL6936388

COCC(C)OC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
PARP10 Q53GL7 1/20 0.46
GCK P35557 1/20 0.46
SRD5A2 P31213 4/20 0.45
LTA4H P09960 1/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL498388 0.88 LMNA (0.52) ALDH1A1MAPTRAB9ASMN1; SMN2PDCD1
SCHEMBL9636860 0.83 MAOB (0.57) ALDH1A1MAPTRAB9ASMN1; SMN2PARP10
SCHEMBL2507961 0.82 LMNA (0.48) ALDH1A1MAPTRAB9ASMN1; SMN2PDCD1
SCHEMBL9929378 0.82 L3MBTL1 (0.58) ALDH1A1MAPTRAB9APARP10TSHR
SCHEMBL2182416 0.82 LMNA (0.48) ALDH1A1MAPTRAB9ASMN1; SMN2PDCD1
SCHEMBL9963970 0.80 TDP1 (0.53) ALDH1A1MAPTRAB9APDCD1CD274
SCHEMBL2623159 0.80 MAPT (0.45) ALDH1A1MAPTRAB9APDCD1CD274
SCHEMBL9637114 0.80 CA1 (0.62) ALDH1A1MAPTRAB9ASMN1; SMN2TSHR
SCHEMBL4638144 0.78 LMNA (0.53) ALDH1A1MAPTRAB9APDCD1CD274
SCHEMBL14335316 0.78 ALDH1A1 (0.53) ALDH1A1MAPTRAB9APDCD1CD274

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