SCHEMBL9562317

SCHEMBL9562317

COC(=O)C(=Cc1ccccc1)Oc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
AKR1C3 P42330 1/20 0.43
RAD51 Q06609 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL1397476 0.85 ABCG2 (0.53) MEN1KMT2AABCG2AKR1C3RECQL
SCHEMBL28732347 0.85 ABCG2 (0.53) MEN1KMT2AABCG2AKR1C3RECQL
SCHEMBL29082928 0.84 ALDH1A1 (0.51) MEN1KMT2AALDH1A1
SCHEMBL7298719 0.82 AKR1C3 (0.50) MEN1KMT2AABCG2AKR1C3RAD51
SCHEMBL7298723 0.82 AKR1C3 (0.50) MEN1KMT2AABCG2AKR1C3RAD51
SCHEMBL15941381 0.82 MEN1 (0.66) MEN1KMT2AALDH1A1
SCHEMBL1006524 0.82 AKR1C3 (0.48) MEN1KMT2AAKR1C3RAD51ALDH1A1
SCHEMBL9359402 0.81 ATM (0.50) MEN1KMT2AABCG2AKR1C3RAD51
SCHEMBL21187006 0.81 KDM4E (0.52) MEN1KMT2ARAD51ALDH1A1
SCHEMBL14458708 0.81 KDM4E (0.52) MEN1KMT2ARAD51ALDH1A1

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-1993010161-A1 POLYMER REVERSAL ON SOLID SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1993-05-27 WO disclosed