SCHEMBL9626931

SCHEMBL9626931

CCCCC[C@@H](COS(=O)(=O)c1ccc(C)cc1)OC(=O)CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2C Q5R387 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 3/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ ALB P02768 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MCOLN3 Q8TDD5 1/20 0.36
▸ PRKCA P17252 1/20 0.36
▸ PRKCE Q02156 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SLC25A20 O43772 3/20 0.36

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
SCHEMBL9626924 1.00 PLA2G2C (0.40) PLA2G2CALDH1A1LMNAMAPK1MAPT
SCHEMBL9625700 0.99 PLA2G2C (0.42) PLA2G2CALDH1A1LMNAMAPK1MAPT
SCHEMBL9625708 0.99 PLA2G2C (0.42) PLA2G2CALDH1A1LMNAMAPK1MAPT
SCHEMBL9689434 0.88 PLA2G2C (0.39) PLA2G2CALDH1A1LMNAPOLBTSHR
SCHEMBL9689444 0.88 PLA2G2C (0.39) PLA2G2CALDH1A1LMNAPOLBTSHR
SCHEMBL9626295 0.88 POLB (0.39) ALDH1A1LMNAMAPK1POLBSTAT3
SCHEMBL9626304 0.88 POLB (0.39) ALDH1A1LMNAMAPK1POLBSTAT3
SCHEMBL9772012 0.85 POLB (0.38) ALDH1A1LMNAMAPK1POLBSTAT3
SCHEMBL9772004 0.85 POLB (0.38) ALDH1A1LMNAMAPK1POLBSTAT3
SCHEMBL16791668 0.85 KMT2A (0.40) PLA2G2CALDH1A1LMNAMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0197484-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE GLYCOL DERIVATIVES KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-02-05 — — EP disclosed
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