SCHEMBL20835341

SCHEMBL20835341

CCCCC(CC)COC(=C=O)Cc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 3/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 3/20 0.40
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
MAPK1 P28482 3/20 0.36
TSHR P16473 2/20 0.35
ATM Q13315 2/20 0.32
GAA P10253 1/20 0.32
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL768969 0.91 ALDH1A1 (0.37) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20835340 0.89 ALDH1A1 (0.42) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL29156833 0.85 ALDH1A1 (0.35) ALDH1A1CYP3A4LMNAMAPK1TSHR
SCHEMBL8675568 0.84 ALDH1A1 (0.41) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL77808 0.84 CYP3A4 (0.42) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL28974096 0.82 ALDH1A1 (0.34) ALDH1A1PRSS1PRSS2PRSS3MAPK1
SCHEMBL5351973 0.81 NPC1 (0.38) ALDH1A1LMNAMAPK1GAAHSD17B10
SCHEMBL4594117 0.81 CYP3A4 (0.35) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL2952892 0.80 ALDH1A1 (0.42) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL19834895 0.80 ALDH1A1 (0.44) ALDH1A1CYP3A4CA2LMNAPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4025629-A1 OLIGOMER OR POLYMER, COMPOSITION, USE OF THE OLIGOMER OR POLYMER AND INTERMEDIATE Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2022-07-13 EP disclosed
CN-109554018-B Inkjet composition set and inkjet recording method 精工爱普生株式会社 2022-04-15 CN disclosed
WO-2021043489-A1 OLIGOMER OR POLYMER, COMPOSITION, USE OF THE OLIGOMER OR POLYMER AND INTERMEDIATE Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2021-03-11 WO disclosed
EP-3460013-B1 INK JET COMPOSITION SET AND INK JET RECORDING METHOD SEIKO EPSON CORP (JP) 2020-08-12 EP disclosed
US-10590297-B2 Ink jet composition set and ink jet recording method SEIKO EPSON CORPORATION (JP) 2020-03-17 US disclosed
CN-109554018-A Inkjet compositions group and ink jet recording method 精工爱普生株式会社 2019-04-02 CN disclosed
US-20190092957-A1 INK JET COMPOSITION SET AND INK JET RECORDING METHOD SEIKO EPSON CORPORATION (JP) 2019-03-28 US disclosed
EP-3460013-A1 INK JET COMPOSITION SET AND INK JET RECORDING METHOD Seiko Epson Corporation (JP) 2019-03-27 EP disclosed