SCHEMBL9772012

SCHEMBL9772012

CCCC(=O)O[C@@H](CCl)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ STAT3 P40763 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MCOLN3 Q8TDD5 1/20 0.37
▸ GAA P10253 3/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MME P08473 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ ENPP1 P22413 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ YAP1 P46937 1/20 0.33
▸ TEAD4 Q15561 1/20 0.33

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
SCHEMBL9772004 1.00 POLB (0.38) POLBMAPK1STAT3ALDH1A1HTT
SCHEMBL9772016 1.00 POLB (0.38) POLBMAPK1STAT3ALDH1A1HTT
SCHEMBL9691605 0.90 STAT3 (0.39) POLBMAPK1STAT3ALDH1A1GAA
SCHEMBL9691621 0.90 STAT3 (0.39) POLBMAPK1STAT3ALDH1A1GAA
SCHEMBL9626304 0.90 POLB (0.39) POLBMAPK1STAT3ALDH1A1HTT
SCHEMBL9626295 0.90 POLB (0.39) POLBMAPK1STAT3ALDH1A1HTT
SCHEMBL9626924 0.85 PLA2G2C (0.40) POLBMAPK1STAT3ALDH1A1HTT
SCHEMBL9626931 0.85 PLA2G2C (0.40) POLBMAPK1STAT3ALDH1A1HTT
SCHEMBL9625708 0.84 PLA2G2C (0.42) MAPK1ALDH1A1KMT2ALMNA
SCHEMBL9625700 0.84 PLA2G2C (0.42) MAPK1ALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5032523-A Preparation of optically active esters LION CORPORATION (JP) 1991-07-16 — — US disclosed
US-4863859-A BIOCHEMICAL RESOLUTION USING AN ESTERASE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-09-05 — — US disclosed
EP-0189878-A2 Process for preparing optically active glycerol derivates KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-08-06 — — EP disclosed
Send feedback