SCHEMBL30901532

SCHEMBL30901532

C=C(C)CCCOC(=O)c1ccccc1C(=O)OCCCC(=C)C

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.64
TDP1 Q9NUW8 4/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
CYP3A4 P08684 4/20 0.62
MAPK1 P28482 2/20 0.62
TP53 P04637 1/20 0.62
ALDH1A1 P00352 7/20 0.60
LMNA P02545 1/20 0.60
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
PTGS2 P35354 1/20 0.45
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
NPC1 O15118 1/20 0.43
CA2 P00918 1/20 0.42

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
SCHEMBL29220286 1.00 TSHR (0.64) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL29220340 0.95 TSHR (0.65) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL30901597 0.95 TSHR (0.65) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL29220289 0.94 TSHR (0.57) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL29220301 0.93 TSHR (0.66) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL30901560 0.93 TSHR (0.66) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL28716635 0.89 ALDH1A1 (0.61) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL29220398 0.89 TSHR (0.58) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL29220304 0.88 ALDH1A1 (0.59) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL2342289 0.87 TSHR (0.60) 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 3 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-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