SCHEMBL9804694

SCHEMBL9804694

COc1ccc(CN2CN(Cc3ccc(OC)cc3OC)CN(Cc3ccc(OC)cc3OC)C2)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
APLNR P35414 1/20 0.61
MAPK1 P28482 2/20 0.59
ALDH1A1 P00352 4/20 0.57
TSHR P16473 2/20 0.57
MAPT P10636 1/20 0.57
LMNA P02545 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL9831262 0.86 KDM4E (0.64) KDM4EAPLNRMAPK1ALDH1A1TSHR
SCHEMBL28191688 0.85 KDM4E (0.63) KDM4EAPLNRMAPK1ALDH1A1TSHR
SCHEMBL25988241 0.83 KDM4E (0.61) KDM4EAPLNRMAPK1ALDH1A1TSHR
SCHEMBL21587706 0.82 KDM4E (0.64) KDM4EAPLNRMAPK1ALDH1A1TSHR
SCHEMBL2895893 0.82 ALDH1A1 (0.55) KDM4EAPLNRMAPK1ALDH1A1TSHR
SCHEMBL392360 0.82 CYP1A2 (0.62) KDM4EAPLNRMAPK1ALDH1A1TSHR
SCHEMBL21587657 0.81 KDM4E (0.53) KDM4EAPLNRMAPK1ALDH1A1TSHR
SCHEMBL2226923 0.80 ALDH1A1 (0.62) KDM4EAPLNRMAPK1ALDH1A1TSHR
SCHEMBL31263175 0.80 KDM4E (0.52) KDM4EAPLNRMAPK1ALDH1A1TSHR
SCHEMBL30657133 0.80 KDM4E (0.59) KDM4EAPLNRMAPK1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126709-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE AZETIDINONES CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed
US-4614614-A Process for the manufacture of optically active azetidinones CIBA-GEIGY CORPORATION (US) 1986-09-30 US disclosed
EP-0126709-A1 Process for the preparation of optically active azetidinones CIBA-GEIGY AG (CH) 1984-11-28 EP disclosed