SCHEMBL9719498

SCHEMBL9719498

CCCC[PH](CCCC)(CCCC)CCCC.O=S(=O)(O)C=Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
GAA P10253 2/20 0.40
HDAC3 O15379 1/20 0.40
FKBP1A P62942 1/20 0.40
HTT P42858 1/20 0.39
PPARG P37231 4/20 0.39
LMNA P02545 2/20 0.38
NFE2L2 Q16236 2/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL28285936 0.83 EGFR (0.48) EGFRGAAHDAC3FKBP1AHTT
Alcohol SCHEMBL29033352 0.82 HTT (0.46) GAAHDAC3HTTPPARGLMNA
SCHEMBL4016548 0.82 BCHE (0.50) EGFRGAATDP1
Tetrabuthylammonium SCHEMBL5893078 0.82 EGFR (0.47) EGFRGAAHDAC3FKBP1AHTT
Hydroxyl Radical SCHEMBL28092208 0.82 PPARG (0.52) GAAHDAC3HTTPPARGLMNA
Hydroxyl Radical SCHEMBL28857399 0.80 PPARG (0.50) GAAHDAC3HTTPPARGLMNA
SCHEMBL1201904 0.80 PPARG (0.53) GAAHDAC3HTTPPARGLMNA
SCHEMBL2496181 0.80 PPARG (0.53) GAAHDAC3HTTPPARGLMNA
SCHEMBL15001 0.80 PPARG (0.53) GAAHDAC3HTTPPARGLMNA
SCHEMBL21990555 0.79 BCHE (0.49) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175059-A Anionic polymers MITSUBISHI RAYON COMPANY LTD. (JP) 1992-12-29 US disclosed
US-5143675-A Anionic surfactants MISTUBISHI RAYON CO., LTD. (JP) 1992-09-01 US disclosed