SCHEMBL29220174

SCHEMBL29220174

C=CCC(C)(C(=O)OCCCCCC)C(=O)OCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
NAAA Q02083 1/20 0.46
HPGD P15428 1/20 0.44
HCAR2 Q8TDS4 2/20 0.44
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PLA2G2C Q5R387 1/20 0.40
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
ACHE P22303 3/20 0.39

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
SCHEMBL29220217 1.00 TSHR (0.46) TSHRNAAAHPGDHCAR2EPHX1
SCHEMBL28556865 0.98 TSHR (0.46) TSHRNAAAHPGDHCAR2EPHX1
SCHEMBL28123787 0.93 TSHR (0.52) TSHRNAAAHPGDHCAR2EPHX1
SCHEMBL29220219 0.90 HCAR2 (0.42) TSHRNAAAHPGDHCAR2EPHX1
SCHEMBL28004303 0.89 TSHR (0.47) TSHRNAAAHPGDHCAR2ALDH1A1
SCHEMBL28133892 0.86 TSHR (0.37) TSHRHPGDHCAR2ALDH1A1LMNA
SCHEMBL15622017 0.83 TSHR (0.44) TSHRNAAAHPGDHCAR2EPHX1
SCHEMBL28554034 0.83 TSHR (0.47) TSHRNAAAHPGDHCAR2EPHX1
SCHEMBL29220186 0.81 TSHR (0.44) TSHRNAAAHPGDHCAR2EPHX1
SCHEMBL29220236 0.81 TSHR (0.44) TSHRNAAAHPGDHCAR2EPHX1

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