SCHEMBL9565036

SCHEMBL9565036

CC1(C)C(=O)c2ccc(Br)cc2[C@@H](Oc2ccc(O)nn2)[C@@H]1O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP2 O95551 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL9565039 1.00 LMNA (0.33) LMNAMAPK1TDP2ALDH1A1POLB
SCHEMBL9565042 1.00 LMNA (0.33) LMNAMAPK1TDP2ALDH1A1POLB
SCHEMBL9565067 0.84 ABCC9 (0.34) LMNA
SCHEMBL9565108 0.84 ABCC9 (0.34) LMNA
SCHEMBL9565070 0.84 ABCC9 (0.34) LMNA
SCHEMBL9565065 0.80 TP53 (0.34) LMNAMAPK1TDP2ALDH1A1CA1
SCHEMBL9565062 0.80 TP53 (0.34) LMNAMAPK1TDP2ALDH1A1CA1
SCHEMBL9565063 0.80 TP53 (0.34) LMNAMAPK1TDP2ALDH1A1CA1
SCHEMBL7330531 0.76 ABCC9 (0.38)
SCHEMBL9564975 0.70 MAPK1 (0.34) MAPK1ALDH1A1CA1CA2CA4

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-0525768-A1 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1993-02-03 EP disclosed