SCHEMBL11068124

SCHEMBL11068124

CCOC(=O)c1c(O)c2cc(C(=O)OCCOCCOCCOC)ccc2n(CC)c1=O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 2/20 0.48
HSD17B10 Q99714 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
KMT2A Q03164 1/20 0.46
RECQL P46063 1/20 0.43
PTGER4 P35408 1/20 0.43

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
SCHEMBL11072560 0.92 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2HTTHSD17B10
SCHEMBL11070873 0.92 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2HTTHSD17B10
SCHEMBL11068656 0.89 ALDH1A1 (0.76) ALDH1A1KDM4ESMN1; SMN2HTTHSD17B10
SCHEMBL10805754 0.86 ALDH1A1 (0.71) ALDH1A1KDM4ESMN1; SMN2HTTHSD17B10
SCHEMBL10805347 0.84 ALDH1A1 (0.74) ALDH1A1KDM4ESMN1; SMN2HTTHSD17B10
SCHEMBL11063604 0.81 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2HTTHSD17B10
SCHEMBL10807501 0.81 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2HTTHSD17B10
SCHEMBL11066650 0.80 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2HTTHSD17B10
SCHEMBL15966835 0.77 ALDH1A1 (1.00) ALDH1A1KDM4ESMN1; SMN2HTTHSD17B10
SCHEMBL15966796 0.77 ALDH1A1 (0.83) ALDH1A1KDM4ESMN1; SMN2HTTHSD17B10

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
US-4476132-A Acylquinolinone derivatives, and antiallergic preparations and methods of inhibiting allergic reactions using them CIBA-GEIGY CORPORATION (US) 1984-10-09 US disclosed