SCHEMBL2552236

SCHEMBL2552236

COCCNC(=O)COc1ccccc1C=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.67
TSHR P16473 2/20 0.67
HSD17B10 Q99714 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.56
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 2/20 0.52
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
KDM4E B2RXH2 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
SCHEMBL2562334 0.92 HPGD (0.57) HPGDTSHRHSD17B10CYP1A2CYP2C9
SCHEMBL15332808 0.86 PTGDR2 (0.59) HPGDTSHRHSD17B10PTGDR2ALDH1A1
SCHEMBL15330855 0.85 HPGD (0.55) HPGDTSHRHSD17B10CYP1A2CYP2C9
SCHEMBL7365741 0.85 PTGDR2 (0.60) HPGDTSHRHSD17B10PTGDR2ALDH1A1
SCHEMBL29950848 0.84 KMT2A (0.62) HPGDTSHRHSD17B10PTGDR2ALDH1A1
SCHEMBL29955221 0.83 PTGDR2 (0.62) HPGDTSHRHSD17B10PTGDR2ALDH1A1
SCHEMBL2555017 0.83 MAPT (0.56) HPGDTSHRHSD17B10PTGDR2ALDH1A1
SCHEMBL22588977 0.83 PTGDR2 (0.55) HPGDTSHRHSD17B10PTGDR2ALDH1A1
SCHEMBL2562336 0.82 HPGD (0.60) HPGDTSHRALDH1A1HTTSMN1; SMN2
SCHEMBL15331584 0.82 RAB9A (0.64) HPGDTSHRHSD17B10CYP1A2CYP2C9

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