SCHEMBL28058905

SCHEMBL28058905

CCC=C(C)C(=O)OCCCCCO

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ACHE P22303 6/20 0.44
NAAA Q02083 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
HCAR2 Q8TDS4 1/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 1/20 0.34
EPHX1 P07099 1/20 0.34
FAAH O00519 1/20 0.34
APP P05067 1/20 0.33

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
SCHEMBL28019296 0.93 TSHR (0.39) TSHRACHENAAAALDH1A1CYP4F2
SCHEMBL11142775 0.87 TSHR (0.59) TSHRACHENAAAALDH1A1HCAR2
SCHEMBL29117607 0.87 TSHR (0.59) TSHRACHENAAAALDH1A1HCAR2
SCHEMBL28277932 0.87 TSHR (0.59) TSHRACHENAAAALDH1A1HCAR2
SCHEMBL236897 0.87 TSHR (0.59) TSHRACHENAAAALDH1A1HCAR2
SCHEMBL375393 0.87 TSHR (0.59) TSHRACHENAAAALDH1A1HCAR2
SCHEMBL374916 0.87 TSHR (0.59) TSHRACHENAAAALDH1A1HCAR2
SCHEMBL375028 0.87 TSHR (0.59) TSHRACHENAAAALDH1A1HCAR2
SCHEMBL10620372 0.85 TSHR (0.56) TSHRNAAAALDH1A1HCAR2RAD52
SCHEMBL375532 0.85 TSHR (0.56) TSHRNAAAALDH1A1HCAR2RAD52

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
CN-105446077-B Photosensitive polymer combination 东友精细化工有限公司 2019-10-25 CN disclosed
CN-105446077-A Photosensitive resin composition DONGWOO FINE-CHEM COMPANY 2016-03-30 CN disclosed