SCHEMBL2558412

SCHEMBL2558412

N#Cc1ccccc1C(=O)CC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.38
POLB P06746 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HSP90AA1 P07900 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
GAA P10253 2/20 0.36
ESR1 P03372 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7820178 0.78 KMT2A (0.37) PPIAPOLBMAPTALDH1A1LMNA
SCHEMBL27576279 0.78 MAPT (0.42) PPIAPOLBMAPTALDH1A1LMNA
SCHEMBL8239082 0.78 TSHR (0.52) PPIAPOLBMAPTALDH1A1LMNA
SCHEMBL29777919 0.78 TSHR (0.52) PPIAPOLBMAPTALDH1A1LMNA
SCHEMBL392810 0.78 PTPN1 (0.50) PPIAPOLBMAPTHTTLMNA
SCHEMBL19984839 0.76 LMNA (0.37) PPIAPOLBMAPTALDH1A1LMNA
SCHEMBL8648002 0.76 KMT2A (0.37) POLBMAPTALDH1A1LMNACA1
SCHEMBL28662371 0.75 TSHR (0.39) PPIAPOLBMAPTALDH1A1HPGD
SCHEMBL2913776 0.74 ALDH1A1 (0.45) PPIAPOLBMAPTALDH1A1LMNA
SCHEMBL31000747 0.74 PPIA (0.45) PPIAPOLBMAPTALDH1A1LMNA

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