SCHEMBL28217641

SCHEMBL28217641

CC(C)=CC(=O)OCCC1OC1C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 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
SCHEMBL28211848 0.80 TSHR (0.48) TSHRALDH1A1
SCHEMBL7939481 0.73 ADRA2A (0.43) TSHR
SCHEMBL10655043 0.72 TSHR (0.40) ALOX15TSHRL3MBTL1ALDH1A1POLB
SCHEMBL156554 0.72 EPHX1 (0.34) ALOX15TSHRL3MBTL1ALDH1A1POLB
SCHEMBL19847299 0.70 TSHR (0.54) ALOX15TSHRL3MBTL1ALDH1A1POLB
SCHEMBL3120720 0.70 HCAR2 (0.54) ALOX15TSHRL3MBTL1ALDH1A1POLB
SCHEMBL15482568 0.69 SMN1; SMN2 (0.40) ALOX15TSHRL3MBTL1ALDH1A1POLB
SCHEMBL27525497 0.69 TSHR (0.40) ALOX15TSHRL3MBTL1ALDH1A1POLB
SCHEMBL11011985 0.69 L3MBTL1 (0.40) ALOX15TSHRL3MBTL1ALDH1A1POLB
SCHEMBL15482569 0.69 TSHR (0.40) ALOX15TSHRL3MBTL1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103709827-B Ink-jet ink, lenticule, optical element and device 捷恩智株式会社 2018-05-01 CN disclosed