SCHEMBL6851614

SCHEMBL6851614

C=CC(=O)OCCc1ccc(O)c(-c2cccc3[nH]nnc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.39
THRB P10828 1/20 0.35
MET P08581 5/20 0.35
YWHAG P61981 1/20 0.34
CA12 O43570 3/20 0.34
CA4 P22748 3/20 0.34
CA6 P23280 3/20 0.34
CA5A P35218 3/20 0.34
CA7 P43166 3/20 0.34
CA9 Q16790 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CA5B Q9Y2D0 3/20 0.34
AKR1B1 P15121 3/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
ALOX12 P18054 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX5 P09917 2/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL2934860 0.85 APP (0.34) APPTHRBMETYWHAGCA12
SCHEMBL31570222 0.85 APP (0.34) APPTHRBMETYWHAGCA12
SCHEMBL7267358 0.82 THRB (0.45) THRBCA12CA4CA6CA5A
SCHEMBL27891304 0.81 GAA (0.34) THRBALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL28093559 0.79 MET (0.32) METMAPK1HPGDTDP1TSHR
SCHEMBL28499025 0.79 BACE1 (0.41) AKR1B1MAPK1ALOX5KDM4EMEN1
SCHEMBL28077414 0.78 HPGD (0.32) CA12CA4CA6CA5ACA7
SCHEMBL30567518 0.78 CNR1 (0.56) AKR1B1CYP3A4ALOX15ALOX12MAPK1
SCHEMBL553580 0.78 THRB (0.40) THRBHSD17B10ALDH1A1MAPTLMNA
SCHEMBL2777243 0.77 GAA (0.34) THRBALOX5MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113573893-A Adhesive composition, adhesive layer and adhesive sheet 日东电工株式会社 2021-10-29 CN disclosed
US-6781148-B2 APPLYING POLYSILAZANE TO A SUBSTRATE AND; SUBJECTING THE APPLIED POLYSILAZANE TO OXIDATIVE TREATMENT, TO FORM A SILICA FILM OR SILICEOUS FILM ON SAID SUBSTRATE TDK CORPORATION (JP) 2004-08-24 US disclosed
US-20020113241-A1 Light emitting device TDK CORPORATION (JP) 2002-08-22 US disclosed