SCHEMBL7260719

SCHEMBL7260719

C=CCOCn1c(Cc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 2/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL2107018 0.87 SMN1; SMN2 (0.36) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL7254871 0.87 ALDH1A1 (0.32) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7757624 0.85 SMN1; SMN2 (0.39) KMT2AALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL7256071 0.83 ALDH1A1 (0.32) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7258815 0.83 MEN1 (0.33) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL7255873 0.83 ALDH1A1 (0.38) KMT2AALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL5199239 0.83 UPP1 (0.44)
SCHEMBL7258812 0.83 TK1 (0.35) MEN1KMT2AALDH1A1KDM4E
SCHEMBL7255075 0.82 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL5200101 0.81 SMN1; SMN2 (0.34) MEN1KMT2AALDH1A1SMN1; SMN2

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
WO-2003057677-A1 ANTI-RETROVIRAL 5,6-DISUBSTITUTED ACYCLOPYRIMIDINE NUCLEOSIDE DERIVATIVES SYDDANSK UNIVERSITET (DK) 2003-07-17 WO disclosed