SCHEMBL11068656

SCHEMBL11068656

CCOC(=O)c1ccc2c(c1)c(O)c(C(=O)OCC)c(=O)n2CC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.76
KDM4E B2RXH2 6/20 0.71
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 4/20 0.56
HTT P42858 3/20 0.54
RECQL P46063 1/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 2/20 0.50
PPARG P37231 1/20 0.50
RAB9A P51151 1/20 0.50
NCOA2 Q15596 1/20 0.50
NCOA1 Q15788 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL10805754 0.94 ALDH1A1 (0.71) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL10805347 0.94 ALDH1A1 (0.74) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL11063604 0.91 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL10807501 0.91 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL11068124 0.89 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL11072560 0.89 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL11070873 0.89 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL11066650 0.89 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL15966796 0.86 ALDH1A1 (0.83) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL15966835 0.86 ALDH1A1 (1.00) ALDH1A1KDM4ESMN1; SMN2LMNAHTT

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