SCHEMBL6853499

SCHEMBL6853499

C[C@]1(C2=CC=C(O)CC2)NC(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.46
AKR1B1 P15121 5/20 0.41
IDO1 P14902 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1A1 P14550 1/20 0.35
PGR P06401 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CBX7 O95931 1/20 0.32
CDYL2 Q8N8U2 1/20 0.32
CDYL Q9Y232 1/20 0.32
CDY1; CDY1B Q9Y6F8 1/20 0.32

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
SCHEMBL1408090 0.76 PDE7A (0.48) PDE7AAKR1B1IDO1MEN1KMT2A
SCHEMBL8471852 0.76 PDE7A (0.48) PDE7AAKR1B1IDO1MEN1KMT2A
SCHEMBL6853483 0.76 PDE7A (0.48) PDE7AAKR1B1IDO1MEN1KMT2A
SCHEMBL21940203 0.72 PDE7A (0.50) PDE7AAKR1B1IDO1AKR1A1PGR
SCHEMBL1722012 0.64 PGR (0.69) PDE7AAKR1B1IDO1MEN1KMT2A
SCHEMBL5380796 0.63 AKR1B1 (0.53) PDE7AAKR1B1AKR1A1LMNA
SCHEMBL9539072 0.62 PDE7A (0.57) PDE7AAKR1B1IDO1MEN1KMT2A
SCHEMBL9539797 0.61 PDE7A (0.46) PDE7AAKR1B1IDO1MEN1KMT2A
SCHEMBL19260231 0.61 AHR (0.54) PDE7AAKR1B1IDO1MEN1KMT2A
SCHEMBL2480561 0.61 AKR1B1 (0.68) PDE7AAKR1B1IDO1AKR1A1CA12

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-1745785-B1 Pharmaceutical composition for preventing or treating cerebral oedema BIOCODEX (FR) 2011-03-09 EP disclosed