SCHEMBL29220193

SCHEMBL29220193

C=CCCCOC(=O)c1ccc(C(C)(C)C)cc1C(=O)OCCCC=C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.41
TDP1 Q9NUW8 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CYP3A4 P08684 3/20 0.40
MAPK1 P28482 3/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
BCHE P06276 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SERPINE1 P05121 1/20 0.35

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
SCHEMBL29220388 0.96 TSHR (0.42) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL29220118 0.92 CYP3A4 (0.41) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL29220256 0.83 CYP3A4 (0.58) TSHRTDP1CYP3A4MAPK1TP53
SCHEMBL4625920 0.83 TSHR (0.61) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4626409 0.82 TSHR (0.56) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL27669125 0.81 TSHR (0.63) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL29220276 0.80 SERPINE1 (0.53) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4627171 0.80 TSHR (0.42) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4625676 0.79 TSHR (0.56) TSHRTDP1L3MBTL1MAPK1TP53
SCHEMBL4628235 0.78 TSHR (0.51) TSHRTDP1L3MBTL1CYP3A4MAPK1

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 4 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-118108889-A Organic polymer carrier, Z-N catalyst, 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
CN-118108889-A Organic polymer carrier, Z-N catalyst, and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN disclosed