SCHEMBL2558096

SCHEMBL2558096

COc1cc(-c2cccc(C=O)c2)ccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.57
TRIM33 Q9UPN9 1/20 0.57
NPC1 O15118 1/20 0.50
CYP2C9 P11712 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ERN1 O75460 3/20 0.49
CHEK1 O14757 1/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.47
APAF1 O14727 1/20 0.47
RECQL P46063 1/20 0.47
CASP6 P55212 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
MCL1 Q07820 1/20 0.47
CASP8 Q14790 1/20 0.47
TNFRSF1A P19438 1/20 0.46
HPGD P15428 2/20 0.45
UNG P13051 1/20 0.45

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
SCHEMBL2558253 0.87 ALDH1A1 (0.53) TRIM24TRIM33NPC1CYP2C9RAB9A
SCHEMBL29788086 0.83 CHEK1 (0.60) CHEK1ALDH1A1KDM4EAPAF1RECQL
SCHEMBL504872 0.83 CHEK1 (0.60) CHEK1ALDH1A1KDM4EAPAF1RECQL
SCHEMBL3909451 0.83 CYP2C9 (0.62) TRIM24TRIM33NPC1CYP2C9RAB9A
SCHEMBL2770512 0.83 ALDH1A1 (0.67) NPC1RAB9ACHEK1ALDH1A1KDM4E
SCHEMBL4937479 0.82 ALDH1A1 (0.65) TRIM24TRIM33NPSR1ERN1ALDH1A1
SCHEMBL30514362 0.82 ALDH1A1 (0.65) TRIM24TRIM33NPSR1ERN1ALDH1A1
SCHEMBL5736343 0.81 TRIM24 (0.67) TRIM24TRIM33ERN1MCL1UNG
SCHEMBL17583596 0.81 ALDH1A1 (0.68) TRIM24TRIM33ERN1CHEK1ALDH1A1
SCHEMBL17177740 0.80 ALDH1A1 (0.62) NPC1RAB9ACHEK1ALDH1A1KDM4E

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