SCHEMBL2742406

SCHEMBL2742406

C=CC(=O)OCC(COC(=O)C(C)(C)CC)OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 5/20 0.35
CYP3A4 P08684 2/20 0.35
THRB P10828 2/20 0.34
CA2 P00918 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
PTGS2 P35354 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL13497084 0.87 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4THRBCA2
SCHEMBL10168250 0.85 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4THRBCA2
SCHEMBL21914857 0.82 ADRB2 (0.46) ALDH1A1TSHRCYP3A4CA2ADRB2
SCHEMBL10093743 0.82 ALDH1A1 (0.39) ALDH1A1TSHRCYP3A4CA2POLB
SCHEMBL12342317 0.80 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4CA2POLB
SCHEMBL20990562 0.80 TSHR (0.46) ALDH1A1TSHRCYP3A4THRB
SCHEMBL3155745 0.79 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4THRBCA2
SCHEMBL11205065 0.79 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4THRBCA2
SCHEMBL13497087 0.78 THRB (0.49) ALDH1A1TSHRCYP3A4THRBCA2
SCHEMBL29868264 0.78 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4THRBADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8753801-B2 Photosensitive composition, pattern forming material, and photosensitive film, pattern forming method, pattern film, low refractive index film, optical device and solid-state imaging device each using the same FUJIFILM CORPORATION (JP) 2014-06-17 US disclosed
US-20120003436-A1 PHOTOSENSITIVE COMPOSITION, PATTERN FORMING MATERIAL, AND PHOTOSENSITIVE FILM, PATTERN FORMING METHOD, PATTERN FILM, LOW REFRACTIVE INDEX FILM, OPTICAL DEVICE AND SOLID-STATE IMAGING DEVICE EACH USING THE SAME FUJIFILM CORPORATION (JP) 2012-01-05 US disclosed