SCHEMBL16647693

SCHEMBL16647693

CC(I)C(=O)OCc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ESR1 P03372 3/20 0.45
ESR2 Q92731 3/20 0.45
LMNA P02545 1/20 0.44
TAAR1 Q96RJ0 3/20 0.42
SLC6A2 P23975 1/20 0.42
IDO1 P14902 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CA2 P00918 2/20 0.41
CAMK2A Q9UQM7 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL10493728 0.85 ALDH1A1 (0.60) KMT2ALMNASLC6A2ALDH1A1
SCHEMBL7429091 0.85 ALDH1A1 (0.60) KMT2ALMNASLC6A2ALDH1A1
SCHEMBL22279482 0.84 RXRA (0.53) MEN1KMT2AALDH1A1
SCHEMBL27635293 0.82 MEN1 (0.55) MEN1KMT2AESR1ESR2LMNA
SCHEMBL18671827 0.81 MEN1 (0.50) MEN1KMT2AESR1ESR2LMNA
SCHEMBL2742150 0.79 MEN1 (0.52) MEN1KMT2AESR1ESR2LMNA
SCHEMBL15762727 0.77 ALDH1A1 (0.48) MEN1KMT2ALMNASLC6A2ALDH1A1
SCHEMBL126492 0.75 ALDH1A1 (0.69) MEN1KMT2AESR1ESR2LMNA
SCHEMBL13590480 0.74 TOP2A (0.54) MEN1KMT2AESR1ESR2
SCHEMBL8268036 0.74 LMNA (0.54) MEN1KMT2AESR1ESR2LMNA

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-2015052155-A1 PROTECTING GROUP COMPRISING A PURIFICATION TAG ASCENDIS PHARMA A/S (DK) 2015-04-16 WO disclosed