SCHEMBL22471703

SCHEMBL22471703

C=CC(=O)CC(C)c1ccccc1OP(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PDE3A Q14432 1/20 0.41
HSD17B10 Q99714 1/20 0.41
INPPL1 O15357 3/20 0.38
INPP5A Q14642 3/20 0.38
INPP5B P32019 2/20 0.38
HTR2A P28223 1/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AKT1 P31749 1/20 0.33
HTR2B P41595 2/20 0.32
HTR2C P28335 1/20 0.32
LMNA P02545 1/20 0.32
ADRB2 P07550 1/20 0.32

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
SCHEMBL28458290 0.77 SRC (0.42) SRCKDM4EUSP2ALDH1A1HPGD
SCHEMBL29613140 0.74 INPPL1 (0.52) SRCKDM4EUSP2ALDH1A1HPGD
SCHEMBL224271 0.74 INPPL1 (0.52) SRCKDM4EUSP2ALDH1A1HPGD
Benzene SCHEMBL27478938 0.73 KDM4E (0.53) SRCKDM4EUSP2ALDH1A1HPGD
Phosphoric Acid SCHEMBL7921303 0.73 INPPL1 (0.50) SRCKDM4EUSP2ALDH1A1HPGD
SCHEMBL3762555 0.72 KDM4E (0.53) SRCKDM4EUSP2ALDH1A1HPGD
SCHEMBL6752558 0.71 CYP2C9 (0.43) ALDH1A1HPGDHTTLMNA
SCHEMBL6752276 0.71 CYP2C9 (0.43) ALDH1A1HPGDHTTLMNA
SCHEMBL11306671 0.71 INPPL1 (0.48) SRCKDM4EUSP2ALDH1A1HPGD
SCHEMBL5682820 0.71 PPARG (0.45) ALDH1A1INPPL1INPP5AINPP5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118043020-A Dental adhesive composition 株式会社GC 2024-05-14 CN disclosed
CN-117979939-A Method for producing dental filling material, and dental composition 株式会社GC 2024-05-03 CN disclosed
CN-117083047-A Dental polymerizable composition 株式会社GC 2023-11-17 CN disclosed
CN-116829116-A Dental adhesive composition 株式会社GC 2023-09-29 CN disclosed
CN-114008093-B Antimicrobial polymer particles, compositions and articles 株式会社GC 2023-02-03 CN disclosed
CN-114008093-A Antimicrobial polymer particles, compositions and articles 株式会社GC 2022-02-01 CN disclosed
WO-2021124663-A1 DENTAL ADHESIVE COMPOSITION 株式会社トクヤマデンタル 2021-06-24 WO disclosed
WO-2021111782-A1 DENTAL ADHESIVE COMPOSITION, DENTAL ADHESIVE MEMBER, AND DENTAL ADHESIVE MEMBER PACKAGING BODY 株式会社トクヤマデンタル 2021-06-10 WO disclosed
WO-2021059645-A1 DENTAL COMPOSITION AND DENTAL RESTORATION KIT 株式会社ジーシー 2021-04-01 WO disclosed
WO-2021049268-A1 POLYMERIZABLE DENTAL COMPOSITION 株式会社ジーシー 2021-03-18 WO disclosed
WO-2021049269-A1 GLASS POWDER AND CHEMICAL POLYMERIZATION INITIATOR 株式会社ジーシー 2021-03-18 WO disclosed
WO-2021049335-A1 DENTAL POLYMERIZABLE COMPOSITION 株式会社ジーシー 2021-03-18 WO disclosed
CN-107920959-B Dental polymerizable composition 株式会社GC 2020-10-02 CN disclosed
WO-2020195026-A1 DENTAL RESTORATIVE MATERIAL SET AND TOOTH RESTORATION METHOD 株式会社ジーシー 2020-10-01 WO disclosed