SCHEMBL2555312

SCHEMBL2555312

COc1ccc2c(C=O)c(C(=O)O)n(Cc3ccc(C)cc3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 11/20 0.59
MAPT P10636 2/20 0.59
YWHAH Q04917 2/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 2/20 0.54
USP2 O75604 2/20 0.54
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.54
KCNH2 Q12809 1/20 0.53
PSMD14 O00487 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL2552008 0.94 TP53 (0.60) TP53MAPTYWHAHMEN1ALDH1A1
SCHEMBL29952730 0.91 MAPT (0.62) TP53MAPTYWHAHMEN1ALDH1A1
SCHEMBL15330019 0.90 TP53 (0.59) TP53MAPTMEN1ALDH1A1KMT2A
SCHEMBL2557382 0.89 MAPT (0.68) TP53MAPTMEN1ALDH1A1KMT2A
SCHEMBL29954091 0.83 KDM4E (0.53) TP53MAPTMEN1ALDH1A1KMT2A
SCHEMBL2562869 0.83 KMT2A (0.74) TP53MAPTMEN1ALDH1A1KMT2A
SCHEMBL2550735 0.83 TP53 (0.61) TP53MAPTMEN1ALDH1A1KMT2A
SCHEMBL2552975 0.80 KMT2A (0.71) TP53MAPTYWHAHMEN1ALDH1A1
SCHEMBL4885587 0.78 PLA2G10 (0.64) TP53MAPTYWHAH
SCHEMBL4877551 0.77 ALDH1A1 (0.49) TP53MAPTMEN1ALDH1A1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed