SCHEMBL22020008

SCHEMBL22020008

C=C(C)C(=O)OCC(O)COc1ccc(C(C)(C)c2ccc(OC[C@@H](O)COC(=O)C(=C)C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.53
HIF1A Q16665 1/20 0.53
AR P10275 2/20 0.52
MAPT P10636 4/20 0.50
POLB P06746 3/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MITF O75030 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL20610370 1.00 HTT (0.53) HTTHIF1AARMAPTPOLB
SCHEMBL11967041 1.00 HTT (0.53) HTTHIF1AARMAPTPOLB
SCHEMBL14173202 1.00 HTT (0.53) HTTHIF1AARMAPTPOLB
SCHEMBL15349 1.00 HTT (0.53) HTTHIF1AARMAPTPOLB
Bicarbonate SCHEMBL7732697 0.97 HTT (0.51) HTTHIF1AARMAPTPOLB
SCHEMBL15803522 0.96 HTT (0.50) HTTHIF1AARMAPTPOLB
SCHEMBL19479960 0.96 AR (0.54) HTTHIF1AARMAPTPOLB
SCHEMBL15803542 0.96 HTT (0.50) HTTHIF1AARMAPTPOLB
Methacrylic Acid SCHEMBL14881206 0.96 HTT (0.50) HTTHIF1AARMAPTPOLB
SCHEMBL3774134 0.95 KMT2A (0.53) HTTHIF1AARMAPTPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3360907-B1 PHOTOCURABLE COMPOSITION, DENTURE BASE, AND PLATE DENTURE MITSUI CHEMICALS INC (JP) 2020-09-09 EP disclosed
EP-3653194-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS Dentsply DeTrey GmbH (DE) 2020-05-20 EP disclosed