SCHEMBL28619388

SCHEMBL28619388

C=CC(=O)OC(C)CCCCOC(=O)CP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.37
FAAH O00519 5/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
HSD17B10 Q99714 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
SCHEMBL28616204 0.96 TSHR (0.38) TSHRALDH1A1CYP3A4HPGDCYP2D6
SCHEMBL27756447 0.87 TSHR (0.38) TSHRALDH1A1CYP3A4HPGDFAAH
SCHEMBL28405006 0.83 TSHR (0.36) TSHRALDH1A1CYP3A4HPGD
SCHEMBL6731836 0.82 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDFAAH
SCHEMBL29845548 0.81 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDFAAH
SCHEMBL31636154 0.81 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDFAAH
SCHEMBL30190367 0.81 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDFAAH
SCHEMBL10867522 0.81 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDFAAH
SCHEMBL29377402 0.81 TSHR (0.62) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5173930 0.80 LPAR3 (0.46) TSHRALDH1A1CYP3A4HPGDFAAH

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-109890343-B Curable composition 株式会社德山齿科 2022-01-04 CN disclosed
CN-108024913-B Curable composition, curable composition for dentistry, and organic-inorganic composite particle for dentistry 德山齿科株式会社 2021-08-10 CN disclosed
CN-110431156-B Curable composition 株式会社德山齿科 2021-08-06 CN disclosed