SCHEMBL2555908

SCHEMBL2555908

COc1cc(Cl)cc(C=O)c1OC(C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.54
KMT2A Q03164 1/20 0.44
TSHR P16473 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.37
PTGDR Q13258 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2557590 0.84 ERN1 (0.45) ERN1KMT2ATSHRHTR2AHTR2C
SCHEMBL15329757 0.79 ERN1 (0.58) ERN1KMT2AKDM4EGAAALDH1A1
SCHEMBL1748175 0.78 ERN1 (0.66) ERN1KMT2ATSHRKDM4EGAA
SCHEMBL2559846 0.78 KMT2A (0.50) KMT2ATSHRHTR2CKDM4EGAA
SCHEMBL2555473 0.78 KMT2A (0.50) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL15331107 0.77 KMT2A (0.58) ERN1KMT2AKDM4EGAACYP1A2
SCHEMBL5883425 0.76 KDM4E (0.66) ERN1TSHRKDM4EGAAL3MBTL1
SCHEMBL3936165 0.75 TSHR (0.66) ERN1KMT2ATSHRHTR2AHTR2C
SCHEMBL15332582 0.75 TSHR (0.66) ERN1KMT2ATSHRHTR2AHTR2C
SCHEMBL28940297 0.72 KMT2A (0.54) KMT2AGAACYP1A2CYP2C19TDP1

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