SCHEMBL14099207

SCHEMBL14099207

COc1cc(-c2cc3c(c(C(N)=O)c2)OCCO3)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.47
KDM4E B2RXH2 3/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL4640431 0.88 KDM4E (0.56) PLK1KDM4ETUBB4ATUBBTUBA3C
SCHEMBL14161561 0.82 TP53 (0.45) PLK1PARP1ALDH1A1LMNAMAPT
SCHEMBL14161600 0.79 PARP1 (0.41) PLK1KDM4EPARP1ALDH1A1L3MBTL1
SCHEMBL4642112 0.74 KDM4E (0.46) KDM4EPARP1ALDH1A1L3MBTL1PDE1A
SCHEMBL14161491 0.73 IKBKB (0.48) KDM4EPARP1ALDH1A1TSHRJAK2
SCHEMBL11982142 0.72 PLK1 (0.69) PLK1KDM4EALDH1A1POLBTDP1
SCHEMBL4737365 0.70 LMNA (0.45) PLK1KDM4EALDH1A1POLBTDP1
SCHEMBL18308447 0.70 PLK1 (0.48) PLK1KDM4ETUBB4ATUBBTUBA3C
SCHEMBL4738832 0.69 SMN1; SMN2 (0.48) PLK1KDM4EALDH1A1POLBLMNA
SCHEMBL15988852 0.68 PLK1 (0.49) PLK1KDM4EALDH1A1POLBTDP1

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-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed