SCHEMBL2552382

SCHEMBL2552382

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.61
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 2/20 0.50
CHEK1 O14757 1/20 0.50
ERN1 O75460 1/20 0.50
ACLY P53396 1/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
KDM4E B2RXH2 2/20 0.48
APAF1 O14727 1/20 0.48
RECQL P46063 1/20 0.48
CASP6 P55212 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
MCL1 Q07820 1/20 0.48
CASP8 Q14790 1/20 0.48

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
SCHEMBL15329890 0.86 ALDH1A1 (0.54) TNFRSF1APDE4APDE4BPDE4CPDE4D
SCHEMBL10316407 0.84 FYN (0.60) TNFRSF1APDE4APDE4BPDE4CPDE4D
SCHEMBL29788086 0.84 CHEK1 (0.60) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL504872 0.84 CHEK1 (0.60) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2770512 0.84 ALDH1A1 (0.67) ALDH1A1RAB9ACHEK1KDM4EAPAF1
SCHEMBL7284622 0.82 ALDH1A1 (0.61) ALDH1A1AKR1C3AKR1C2KDM4ELMNA
SCHEMBL17177740 0.81 ALDH1A1 (0.62) ALDH1A1RAB9ACHEK1KDM4EAPAF1
SCHEMBL14980439 0.80 TNFRSF1A (0.65) TNFRSF1AALDH1A1ERN1FYNMEN1
SCHEMBL2558151 0.80 ACMSD (0.67) ERN1ACLYMCL1LMNAGAA
SCHEMBL10024264 0.80 RXRB (0.53) ACLYAKR1C3AKR1C2LMNAGAA

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