SCHEMBL29220189

SCHEMBL29220189

CCCCCOC(=O)/C(C)=C(/C)C(=O)OCCCCC

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
ALDH1A1 P00352 2/20 0.56
NAAA Q02083 1/20 0.56
EPHX1 P07099 1/20 0.52
RAD52 P43351 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HCAR2 Q8TDS4 2/20 0.48
CES2 O00748 1/20 0.48
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
FAAH O00519 1/20 0.46
LMNA P02545 1/20 0.46
ACHE P22303 3/20 0.45

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
SCHEMBL10009304 0.98 TSHR (0.70) TSHRALDH1A1NAAAEPHX1RAD52
SCHEMBL28027148 0.98 TSHR (0.70) TSHRALDH1A1NAAAEPHX1RAD52
SCHEMBL29220168 0.98 TSHR (0.70) TSHRALDH1A1NAAAEPHX1RAD52
SCHEMBL10009307 0.98 TSHR (0.70) TSHRALDH1A1NAAAEPHX1RAD52
SCHEMBL7536522 0.93 ALDH1A1 (0.65) TSHRALDH1A1NAAAEPHX1RAD52
SCHEMBL5159295 0.93 ALDH1A1 (0.65) TSHRALDH1A1NAAAEPHX1RAD52
SCHEMBL7536526 0.93 ALDH1A1 (0.65) TSHRALDH1A1NAAAEPHX1RAD52
SCHEMBL11746023 0.92 TSHR (0.58) TSHRALDH1A1NAAAEPHX1RAD52
SCHEMBL11744114 0.92 TSHR (0.58) TSHRALDH1A1NAAAEPHX1RAD52
SCHEMBL9056348 0.91 TSHR (0.62) TSHRALDH1A1NAAAEPHX1RAD52

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-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN claimed
CN-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN disclosed