SCHEMBL29130161

SCHEMBL29130161

CCCCC(CCCC)C(CCCC)CCC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
POLB P06746 1/20 0.42
POLA1 P09884 1/20 0.42
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC1A1 P43005 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.40
KDM5A P29375 1/20 0.39
EPHX2 P34913 1/20 0.39
PLA2G2C Q5R387 1/20 0.39
PPARG P37231 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL14947259 0.84 LMNA (0.53) TSHRCA2CA12CA14CA7
SCHEMBL14947261 0.84 LMNA (0.53) TSHRCA2CA12CA14CA7
SCHEMBL15187313 0.82 GPR84 (0.50) TSHRCA2CA1CA12CA14
SCHEMBL28292624 0.82 TSHR (0.48) TSHRCA2CA1CA12CA14
SCHEMBL15187333 0.82 GPR84 (0.50) TSHRCA2CA1CA12CA14
SCHEMBL21694681 0.82 KMT2A (0.49) TSHRCA2CA1POLBCYP3A4
SCHEMBL17526790 0.80 TSHR (0.46) TSHRCA2CA1CA12CA14
SCHEMBL27833079 0.80 CA2 (0.61) TSHRCA2CA1CA12CA14
SCHEMBL17526664 0.80 TSHR (0.46) TSHRCA2CA1CA12CA14
SCHEMBL28795333 0.80 TSHR (0.46) TSHRCA2CA1CA12CA14

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-117304048-A Cationic lipid 武田药品工业株式会社 2023-12-29 CN disclosed
CN-112533893-B Cationic lipid 武田药品工业株式会社 2023-12-22 CN disclosed