SCHEMBL11297753

SCHEMBL11297753

CC(C)(C)c1cccc([S+]([O-])c2cccc(C(C)(C)C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.46
HDAC8 Q9BY41 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACHE P22303 3/20 0.39
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL13155179 0.85 HDAC8 (0.41) KIF11HDAC8HDAC4HDAC2CYP3A4
SCHEMBL22782635 0.83 HDAC8 (0.40) KIF11HDAC8HDAC4HDAC2CYP3A4
SCHEMBL23569400 0.83 HDAC8 (0.40) KIF11HDAC8HDAC4HDAC2CYP3A4
SCHEMBL17795574 0.83 HDAC8 (0.40) KIF11HDAC8HDAC4HDAC2CYP3A4
SCHEMBL247136 0.82 HDAC8 (0.45) KIF11HDAC8HDAC4HDAC2CYP3A4
SCHEMBL11273250 0.82 ESR1 (0.46) CYP3A4ALDH1A1ALOX15MEN1KMT2A
SCHEMBL10145053 0.80 ACHE (0.42) KIF11HDAC8HDAC4HDAC2CYP3A4
SCHEMBL11821454 0.79 SHBG (0.40) CYP3A4MEN1MAPTKMT2AESR1
SCHEMBL246546 0.77 HDAC4 (0.41) KIF11HDAC8HDAC4HDAC2CYP3A4
SCHEMBL242616 0.77 HDAC4 (0.41) KIF11HDAC8HDAC4HDAC2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55038320-A None JP disclosed
EP-3064558-B1 METHOD FOR MANUFACTURING LIGHT-COLORED REFINED TALL OIL ROSIN AND TALL OIL ROSIN ESTER, AND LIGHT-COLORED REFINED TALL OIL ROSIN AND TALL OIL ROSIN ESTER OBTAINED VIA SAID METHOD ARAKAWA CHEM IND (JP) 2020-03-11 EP disclosed
US-20160257852-A1 METHOD FOR MANUFACTURING LIGHT-COLORED REFINED TALL OIL ROSIN AND TALL OIL ROSIN ESTER, AND LIGHT-COLORED REFINED TALL OIL ROSIN AND TALL OIL ROSIN ESTER OBTAINED VIA SAID METHOD ARAKAWA CHEMICAL INDUSTRIES, LTD. (JP) 2016-09-08 US disclosed
EP-3064558-A1 METHOD FOR MANUFACTURING LIGHT-COLORED REFINED TALL OIL ROSIN AND TALL OIL ROSIN ESTER, AND LIGHT-COLORED REFINED TALL OIL ROSIN AND TALL OIL ROSIN ESTER OBTAINED VIA SAID METHOD Arakawa Chemical Industries, Ltd. (JP) 2016-09-07 EP disclosed
US-4312522-A A 2,2*-BISPHENOL SULFIDE, SULFOXIDE, OR SULFONE AS DEVELOPER MITSUI TOATSU CHEMICALS, INC. (JP) 1982-01-26 US disclosed
US-4287366-A BY OXIDATION OF THE CORRESPONDING SULFIDE OR SULFOXIDE WITH HYDROGEN PEROXIDE IN THE PRESENCE OF AN ALKALI METAL HYDROXIDE MITSUI TOATSU CHEMICALS, INC. (JP) 1981-09-01 US disclosed
US-4275240-A OXIDATION OF 2,2'-BISPHENOL SULFIDES IN A SOLVENT MITSUI TOATSU CHEMICALS, INC. (JP) 1981-06-23 US disclosed
EP-0024885-A1 Heat sensitive recording sheet MITSUI TOATSU CHEMICALS, Inc. (JP) 1981-03-11 EP disclosed
JP-S5538320-A PREPARATION OF 2,2'-BIS-PHENOL SULFOXIDE DERIVATIVE MITSUI TOATSU CHEM INC 1980-03-17 JP disclosed
US-3991139-A NORBORNENE DERIVATIVES, PHENOLS, ESTER THIOETHERS SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-11-09 US disclosed