SCHEMBL2560137

SCHEMBL2560137

C=C(Br)COc1cc(OCCC)ccc1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.45
MDM2 Q00987 2/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
NTSR1 P30989 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
CYP1A1 P04798 1/20 0.39

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
SCHEMBL2555122 0.87 ERN1 (0.45) ERN1MDM2ALDH1A1LMNANPSR1
SCHEMBL2553211 0.85 ALDH1A1 (0.59) ERN1ALDH1A1LMNAMAPTCYP1A2
SCHEMBL5449064 0.84 MDM2 (0.52) ERN1MDM2ALDH1A1NPSR1MAPT
SCHEMBL2558336 0.84 PTGDR2 (0.54) ERN1ALDH1A1LMNANPSR1MAPT
SCHEMBL15330336 0.83 ALDH1A1 (0.48) ERN1MDM2ALDH1A1LMNANPSR1
SCHEMBL4070948 0.82 ERN1 (0.49) ERN1MDM2ALDH1A1LMNANPSR1
SCHEMBL4067770 0.82 MDM2 (0.50) ERN1MDM2ALDH1A1NPSR1MAPT
SCHEMBL15329886 0.81 ALDH1A1 (0.48) ERN1MDM2ALDH1A1LMNANPSR1
SCHEMBL29958149 0.80 ALDH1A1 (0.51) ERN1MDM2ALDH1A1LMNANPSR1
SCHEMBL20892596 0.79 ALDH1A1 (0.67) ERN1MDM2ALDH1A1MAPTCYP1A2

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