SCHEMBL6933734

SCHEMBL6933734

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.76
ADRB2 P07550 4/20 0.59
ADRB1 P08588 4/20 0.59
ADRB3 P13945 4/20 0.59
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ESR1 P03372 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
ESR2 Q92731 1/20 0.49
CA14 Q9ULX7 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.47
CYP3A4 P08684 2/20 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
SCHEMBL9407801 1.00 MAPT (0.76) MAPTADRB2ADRB1ADRB3GAA
SCHEMBL5368475 0.93 MAPT (0.86) MAPTADRB2ADRB1ADRB3RAB9A
SCHEMBL10610558 0.89 MAPT (0.61) MAPTADRB2ADRB1ADRB3KMT2A
SCHEMBL10908261 0.89 MAPT (0.61) MAPTADRB2ADRB1ADRB3KMT2A
SCHEMBL8956806 0.88 MAPT (0.78) MAPTADRB2ADRB1ADRB3RAB9A
SCHEMBL9493542 0.88 MAPT (0.78) MAPTADRB2ADRB1ADRB3RAB9A
SCHEMBL9493539 0.88 MAPT (0.78) MAPTADRB2ADRB1ADRB3RAB9A
SCHEMBL9345545 0.86 MAPT (1.00) MAPTADRB2ADRB1ADRB3KMT2A
SCHEMBL6937249 0.86 MAPT (0.76) MAPTADRB2ADRB1ADRB3KMT2A
SCHEMBL7130973 0.86 MAPT (0.76) MAPTADRB2ADRB1ADRB3KMT2A

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 7 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
US-5310503-A Stilbene compound, intermediate for producing the stilbene compound, method of producing the stilbene compound, and liquid crystal composition containing the stilbene compound RICOH COMPANY, LTD. (JP) 1994-05-10 US disclosed
US-5227512-A Stilbene compound, intermediate for producing the stilbene compound, method of producing the stilbene compound, and liquid crystal composition containing the stilbene compound RICOH COMPANY, LTD. (JP) 1993-07-13 US disclosed