SCHEMBL6509552

SCHEMBL6509552

C=CCCCCCCCCOC(=O)c1ccccc1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
TSHR P16473 7/20 0.56
LMNA P02545 2/20 0.56
CYP3A4 P08684 3/20 0.54
MAPK1 P28482 2/20 0.54
TP53 P04637 1/20 0.54
TDP1 Q9NUW8 4/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 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
SCHEMBL29220154 1.00 ALDH1A1 (0.56) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL18117698 1.00 ALDH1A1 (0.56) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL29220249 1.00 ALDH1A1 (0.56) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL6516856 0.98 TSHR (0.55) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL29220274 0.94 CYP3A4 (0.56) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL30901552 0.94 TSHR (0.63) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL30901572 0.94 TSHR (0.63) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL30901530 0.94 TSHR (0.63) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL29220245 0.94 TSHR (0.63) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL30901527 0.94 TSHR (0.63) ALDH1A1TSHRLMNACYP3A4MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
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
WO-2005062811-A2 CATALYTIC SULFOXIDE-PROMOTED C-H OXIDATION, AND REGIOSELECTIVE PREPARATION OF ALLYLIC CARBOXYLATES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-07-14 WO disclosed