SCHEMBL29601329

SCHEMBL29601329

C=C(C)C(=O)Oc1ccc(CC(C)c2cc(OCC)c(OC(=O)C(=C)C)c(OCC)c2OCC)c(OCC)c1OCC

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.33
CREBBP Q92793 1/20 0.32
CYP2C19 P33261 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RORC P51449 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5698005 1.00 ALDH1A1 (0.34) ALDH1A1TSHRCREBBPCYP2C19CYP2D6
SCHEMBL30384808 0.95 MEN1 (0.34) ALDH1A1TSHRSMN1; SMN2
SCHEMBL14874589 0.95 MEN1 (0.34) ALDH1A1TSHRSMN1; SMN2
SCHEMBL7084293 0.91 ALDH1A1 (0.34) ALDH1A1TSHRCREBBPCYP2C19CYP2D6
SCHEMBL534176 0.89 ALDH1A1 (0.31) ALDH1A1TSHRCREBBPCYP2C19CYP2D6
SCHEMBL29817538 0.89 ALDH1A1 (0.31) ALDH1A1TSHRCREBBPCYP2C19CYP2D6
SCHEMBL27895655 0.81 TSHR (0.41) ALDH1A1TSHRCYP2D6CYP1A2LMNA
SCHEMBL28554530 0.78 POLB (0.43) HTTTDP1
SCHEMBL4758984 0.77 TSHR (0.42) ALDH1A1TSHRLMNAHTTGAA
SCHEMBL29489300 0.77 HSD17B10 (0.35) ALDH1A1TSHRCREBBPCYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118576501-A Grinding blank for dental cutting processing 株式会社松风 2024-09-03 CN disclosed
CN-118078642-A High-transparency and long-term release dental resin composition comprising core-shell porous structured nanoparticles and method for preparing same JNP自然股份有限公司 2024-05-28 CN disclosed
CN-111902119-B Resin block for dental cutting 德山齿科株式会社 2023-06-06 CN disclosed
CN-112639017-B Composite material, curable composition, and method for producing curable composition 株式会社德山齿科 2023-05-02 CN disclosed
EP-3593786-B1 PHOTOCURABLE COMPOSITION AND DENTAL RESTORATION FILLING MATERIAL TOKUYAMA DENTAL CORP (JP) 2022-05-18 EP disclosed