SCHEMBL2555035

SCHEMBL2555035

COc1cc(-c2csc(C=O)c2)ccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
CHEK1 O14757 1/20 0.45
KDM4E B2RXH2 3/20 0.43
APAF1 O14727 1/20 0.43
RECQL P46063 1/20 0.43
CASP6 P55212 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
MCL1 Q07820 1/20 0.43
CASP8 Q14790 1/20 0.43
ERN1 O75460 4/20 0.42
SLC22A12 Q96S37 1/20 0.42
PGR P06401 1/20 0.41
NEK2 P51955 1/20 0.41
HPGD P15428 1/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
GAK O14976 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
SCHEMBL8351573 0.82 ERN1 (0.53) ALDH1A1KDM4EERN1PGRHPGD
SCHEMBL2770512 0.82 ALDH1A1 (0.67) ALDH1A1CHEK1KDM4EAPAF1RECQL
SCHEMBL2558974 0.80 ACMSD (0.56) ALDH1A1KDM4ESLC22A12HPGDMAPK1
SCHEMBL2558253 0.80 ALDH1A1 (0.53) ALDH1A1CHEK1KDM4EAPAF1RECQL
SCHEMBL2560700 0.80 ERN1 (0.49) ALDH1A1CHEK1KDM4EERN1PGR
SCHEMBL17177740 0.78 ALDH1A1 (0.62) ALDH1A1CHEK1KDM4EAPAF1RECQL
SCHEMBL2557920 0.78 RARB (0.45) KDM4EERN1SLC22A12PGRADRB1
SCHEMBL2561819 0.78 TSHR (0.46) ALDH1A1PGRADRB1ADRB3SMN1; SMN2
SCHEMBL10459347 0.77 ALDH1A1 (0.61) ALDH1A1CHEK1KDM4EAPAF1RECQL
SCHEMBL2558096 0.76 TRIM24 (0.57) ALDH1A1CHEK1KDM4EAPAF1RECQL

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