SCHEMBL2560700

SCHEMBL2560700

COc1cc(-c2ccc(C=O)s2)ccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.49
ALDH1A1 P00352 2/20 0.47
PGR P06401 1/20 0.43
LDHA P00338 1/20 0.42
CHEK1 O14757 1/20 0.42
MAPT P10636 1/20 0.41
APP P05067 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
PRF1 P14222 1/20 0.40
NEK2 P51955 1/20 0.40
PTPN1 P18031 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 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
SCHEMBL13221509 0.83 PGR (0.48) ERN1ALDH1A1PGRMAPTAPP
SCHEMBL2576240 0.80 HNF4A (0.50) ERN1ALDH1A1MAPTAPPPTPN22
SCHEMBL2555035 0.80 ALDH1A1 (0.48) ERN1ALDH1A1PGRCHEK1NEK2
SCHEMBL15329957 0.79 TSHR (0.45) ERN1PGRMAPTAPPPTPN22
SCHEMBL2558645 0.79 MAPT (0.44) ERN1PGRMAPTAPPPTPN22
SCHEMBL30096308 0.77 PGR (0.49) ERN1ALDH1A1PGRMAPTAPP
SCHEMBL2561768 0.77 PTPN22 (0.56) ERN1LDHAMAPTAPPPTPN22
SCHEMBL2770512 0.77 ALDH1A1 (0.67) ALDH1A1CHEK1MAPTNEK2KDM4E
SCHEMBL2766592 0.77 ERN1 (0.49) ERN1PGRLDHAMAPTAPP
SCHEMBL2558348 0.76 CYP2E1 (0.46) ERN1ALDH1A1LDHAMAPTAPP

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 7 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
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed