SCHEMBL29388652

SCHEMBL29388652

O=C(O)COc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.68
DRD2 P14416 1/20 0.56
DRD1 P21728 1/20 0.56
DRD3 P35462 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GLA P06280 1/20 0.56
ABCB1 P08183 5/20 0.54
KDM4E B2RXH2 2/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ELANE P08246 1/20 0.53
AKR1C3 P42330 1/20 0.50
ALOX15 P16050 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL867129 1.00 PTGDR2 (0.68) PTGDR2DRD2DRD1DRD3L3MBTL1
SCHEMBL8414408 0.91 L3MBTL1 (0.61) PTGDR2L3MBTL1POLBSMN1; SMN2GLA
SCHEMBL8414412 0.87 PTGDR2 (0.57) PTGDR2DRD2DRD1DRD3L3MBTL1
SCHEMBL29536167 0.87 PTGDR2 (0.54) PTGDR2DRD2DRD1DRD3L3MBTL1
SCHEMBL22209162 0.86 HTT (0.73) PTGDR2DRD2DRD1DRD3SMN1; SMN2
SCHEMBL30149165 0.84 DRD2 (0.57) PTGDR2DRD2DRD1DRD3ABCB1
SCHEMBL769670 0.84 DRD2 (0.57) PTGDR2DRD2DRD1DRD3ABCB1
SCHEMBL538221 0.83 ELANE (0.51) PTGDR2DRD2DRD1DRD3POLB
SCHEMBL16092725 0.83 MEN1 (0.61) PTGDR2POLBSMN1; SMN2KDM4EHTT
SCHEMBL29502958 0.83 KDM4E (0.73) PTGDR2L3MBTL1POLBSMN1; SMN2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4157916-A1 A PHOTOPOLYMER EPOXY COMPOSITION AND A PHOTOINITIATOR FOR CURING SAME Polymer Gvulot Ltd. (IL) 2023-04-05 EP claimed
US-12134695-B2 Aqueous binder formulation based on functionalized polyurethanes BASF SE (DE) 2024-11-05 US disclosed
CN-117858791-A Digital embossing manufacturing method 阪田油墨股份有限公司 2024-04-09 CN disclosed
EP-4157916-A1 A PHOTOPOLYMER EPOXY COMPOSITION AND A PHOTOINITIATOR FOR CURING SAME Polymer Gvulot Ltd. (IL) 2023-04-05 EP disclosed
US-20220112371-A1 AQUEOUS BINDER FORMULATION BASED ON FUNCTIONALIZED POLYURETHANES BASF SE (DE) 2022-04-14 US disclosed
EP-3953160-A1 METHODOLOGIES TO RAPIDLY CURE AND COAT PARTS PRODUCED BY ADDITIVE MANUFACTURING Azul 3D, Inc. (US) 2022-02-16 EP disclosed