SCHEMBL7098655

SCHEMBL7098655

CCCC(CCC)OC(=O)CC(C(=O)OC(CCC)CCC)S(=O)(=O)O.[KH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CTSK P43235 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PRKCA P17252 2/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL10340318 0.92 RECQL (0.52) RECQLHDAC1HDAC2HDAC3HDAC4
SCHEMBL9839591 0.91 RECQL (0.51) RECQLCTSKALDH1A1LMNAPRKCA
SCHEMBL27640515 0.86 RECQL (0.52) RECQLALDH1A1LMNAPRKCAMAPT
SCHEMBL19874774 0.86 RECQL (0.49) RECQLALDH1A1LMNAPRKCAMAPT
SCHEMBL11413268 0.86 RECQL (0.49) RECQLALDH1A1LMNAPRKCAMAPT
SCHEMBL11416511 0.86 RECQL (0.49) RECQLALDH1A1LMNAPRKCAMAPT
SCHEMBL478242 0.86 RECQL (0.49) RECQLALDH1A1LMNAPRKCAMAPT
SCHEMBL28992440 0.84 RECQL (0.48) RECQLALDH1A1LMNAPRKCAMAPT
SCHEMBL28992443 0.84 RECQL (0.48) RECQLALDH1A1LMNAPRKCAMAPT
Potassium Ion SCHEMBL7098657 0.84 RECQL (0.35) RECQLCTSKALDH1A1LMNAPRKCA

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-0964036-B1 Water-based ball-point pen ink composition PILOT INK CO LTD (JP) 2003-08-27 EP disclosed