SCHEMBL2551627

SCHEMBL2551627

CC(=O)Oc1ccc2ccccc2c1/C=C/C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 4/20 0.44
NCEH1 Q6PIU2 4/20 0.43
HPGD P15428 4/20 0.43
NPSR1 Q6W5P4 4/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSP90AA1 P07900 2/20 0.43
MITF O75030 1/20 0.43
PKM P14618 1/20 0.43
TLR9 Q9NR96 1/20 0.43
BACE1 P56817 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42

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
SCHEMBL2551628 1.00 MTNR1A (0.51) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
SCHEMBL3268742 0.85 MAPT (0.60) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
SCHEMBL9731206 0.82 MTNR1A (0.57) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
SCHEMBL71029 0.81 MTNR1A (0.48) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
Formamide SCHEMBL9731210 0.79 MTNR1A (0.44) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
SCHEMBL29227146 0.79 CYP1A1 (0.47) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
SCHEMBL29227143 0.79 CYP1A1 (0.47) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
SCHEMBL7526612 0.78 ALDH1A1 (0.52) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
SCHEMBL7524368 0.78 ALDH1A1 (0.52) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
SCHEMBL22750707 0.78 KDM4E (0.49) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19

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