SCHEMBL9689434

SCHEMBL9689434

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2C Q5R387 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALB P02768 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ PLAU P00749 1/20 0.36
▸ HPN P05981 1/20 0.36
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ FKBP1A P62942 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ MMP9 P14780 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL9689444 1.00 PLA2G2C (0.39) PLA2G2CALDH1A1LMNATSHRALB
SCHEMBL9626924 0.88 PLA2G2C (0.40) PLA2G2CALDH1A1LMNATSHRALB
SCHEMBL9626931 0.88 PLA2G2C (0.40) PLA2G2CALDH1A1LMNATSHRALB
SCHEMBL9625708 0.87 PLA2G2C (0.42) PLA2G2CALDH1A1LMNATSHRCYP2C9
SCHEMBL9625700 0.87 PLA2G2C (0.42) PLA2G2CALDH1A1LMNATSHRCYP2C9
SCHEMBL9691605 0.85 STAT3 (0.39) ALDH1A1LMNASTAT3POLBKMT2A
SCHEMBL9691621 0.85 STAT3 (0.39) ALDH1A1LMNASTAT3POLBKMT2A
SCHEMBL16791668 0.82 KMT2A (0.40) PLA2G2CALDH1A1LMNATSHRALB
SCHEMBL9466068 0.80 STAT3 (0.41) ALDH1A1LMNASTAT3CA2CA9
SCHEMBL9691291 0.80 STAT3 (0.41) ALDH1A1LMNASTAT3CA2CA9

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-0490407-A2 Process for the enzymatic separation of the optical isomers of tosyloxy-alkanols MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1992-06-17 — — EP disclosed
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