SCHEMBL2554750

SCHEMBL2554750

CCNC(=O)COc1ccc(Cl)cc1C=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
TSHR P16473 2/20 0.56
HPGD P15428 3/20 0.55
GAA P10253 1/20 0.53
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.46

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
SCHEMBL15331042 0.90 NPSR1 (0.54) ALDH1A1TSHRHPGDGAAKDM4E
SCHEMBL15331648 0.88 TSHR (0.64) ALDH1A1TSHRHPGDKDM4EMAPT
SCHEMBL29954513 0.87 NPSR1 (0.52) ALDH1A1TSHRHPGDGAAKDM4E
SCHEMBL15330964 0.86 ALDH1A1 (0.56) ALDH1A1TSHRGAAKDM4ERAB9A
SCHEMBL2557385 0.86 GAA (0.47) ALDH1A1TSHRHPGDGAAKDM4E
SCHEMBL2561656 0.86 GAA (0.47) ALDH1A1HPGDGAAKDM4ERAB9A
SCHEMBL15331862 0.86 MAPT (0.55) ALDH1A1HPGDGAAKDM4ERAB9A
SCHEMBL29954739 0.85 ALDH1A1 (0.59) ALDH1A1TSHRHPGDKDM4ERAB9A
SCHEMBL2562336 0.85 HPGD (0.60) ALDH1A1TSHRHPGDGAAKDM4E
SCHEMBL15331922 0.84 ALDH1A1 (0.62) ALDH1A1HPGDGAAKDM4ERAB9A

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