SCHEMBL15329890

SCHEMBL15329890

COc1cc(-c2ccc(C(C)=O)cc2)ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 1/20 0.52
CHEK1 O14757 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
AKR1C3 P42330 2/20 0.49
AKR1C2 P52895 2/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 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
ADRB1 P08588 1/20 0.47

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
SCHEMBL8960746 0.90 PDE4A (0.57) ALDH1A1CHEK1PDE4APDE4BPDE4C
SCHEMBL2770512 0.88 ALDH1A1 (0.67) ALDH1A1CHEK1MAPTSMN1; SMN2KDM4E
SCHEMBL7284622 0.86 ALDH1A1 (0.61) ALDH1A1KMT2AAKR1C3AKR1C2KDM4E
SCHEMBL2552382 0.86 TNFRSF1A (0.61) ALDH1A1KMT2ACHEK1SMN1; SMN2AKR1C3
SCHEMBL504872 0.85 CHEK1 (0.60) ALDH1A1CHEK1PDE4APDE4BPDE4C
SCHEMBL29788086 0.85 CHEK1 (0.60) ALDH1A1CHEK1PDE4APDE4BPDE4C
SCHEMBL17177740 0.84 ALDH1A1 (0.62) ALDH1A1CHEK1MAPTSMN1; SMN2KDM4E
SCHEMBL1921738 0.83 ALDH1A1 (0.57) ALDH1A1CHEK1SMN1; SMN2AKR1C3AKR1C2
SCHEMBL10459347 0.83 ALDH1A1 (0.61) ALDH1A1CHEK1MAPTSMN1; SMN2PDE4A
SCHEMBL1921213 0.82 ALDH1A1 (0.56) ALDH1A1CHEK1SMN1; SMN2AKR1C3AKR1C2

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 5 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